{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 7.76697 7.246554 6.924021 6.689684 6.505523 6.353796 6.22477 6.112529 6.013203 5.924125 5.843377 5.769533 5.701505 5.638444 5.579672 5.524644 5.472911 5.424101 5.377901 5.334045 5.292308 5.252495 5.214434 5.17798 5.141126 5.103148 5.063975 5.023529 4.981725 4.938469 4.893656 4.847169 4.798878 4.748639 4.696288 4.641638 4.584478 4.524568 4.461628 4.395336 4.325316 4.251121 4.172223 4.087986 3.997632 3.900205 3.794502 3.678984 3.551643 3.409778 3.249644 3.065831 2.850101 2.58899 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.76697e-10 7.246554e-10 6.924021e-10 6.689684e-10 6.505523e-10 6.353796e-10 6.224770000000001e-10 6.112529e-10 6.013203e-10 5.924125e-10 5.843377000000001e-10 5.769533e-10 5.701505e-10 5.638444e-10 5.579672e-10 5.524644e-10 5.472911e-10 5.424101e-10 5.377901e-10 5.334045e-10 5.292308000000001e-10 5.252495e-10 5.214434e-10 5.17798e-10 5.141126e-10 5.103148e-10 5.063975000000001e-10 5.023529e-10 4.981725e-10 4.938469e-10 4.893656e-10 4.847169e-10 4.798878e-10 4.748639e-10 4.696288e-10 4.6416380000000005e-10 4.584478e-10 4.5245680000000007e-10 4.4616280000000005e-10 4.3953360000000004e-10 4.325316e-10 4.2511210000000004e-10 4.172223e-10 4.087986e-10 3.997632e-10 3.900205e-10 3.7945020000000003e-10 3.678984e-10 3.551643e-10 3.409778e-10 3.249644e-10 3.0658310000000005e-10 2.850101e-10 2.58899e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.00431724 0.290001 0.786967 1.25349 1.6486 1.97714 2.25054 2.47926 2.67163 2.83417 2.97192 3.08882 3.18801 3.27198 3.34277 3.40205 3.45118 3.49132 3.52344 3.54837 3.56681 3.57937 3.58657 3.58888 3.58645 3.57874 3.56499 3.54435 3.5158 3.47816 3.43006 3.37012 3.29746 3.2111 3.10662 2.97102 2.77809 2.48542 2.03242 1.33854 0.300622 -1.21108 -3.35818 -6.34057 -10.4371 -16.2268 -24.8986 -38.3965 -59.4769 -91.8354 -140.818 -218.209 -356.063 -652.879 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.91698105137016e-22 4.64632826036634e-20 1.2608601391290778e-19 2.00831238895266e-19 2.6413483988123997e-19 3.16772751014676e-19 3.6057626018823597e-19 3.9722124416108396e-19 4.2804231606934196e-19 4.54084095078378e-19 4.761540782117279e-19 4.94883523063188e-19 5.107755130958339e-19 5.2422899029153195e-19 5.355707986836179e-19 5.450685017699699e-19 5.52939995572812e-19 5.59371132581688e-19 5.64517323930096e-19 5.68511550278658e-19 5.71465963991754e-19 5.73478297844058e-19 5.74631865020538e-19 5.75001967822992e-19 5.7461263890093e-19 5.733773607161159e-19 5.71174367844366e-19 5.6786747527179e-19 5.6329326098172e-19 5.57262668131344e-19 5.49556198521804e-19 5.39952751777608e-19 5.28311336354964e-19 5.1447493894374e-19 4.97735397471708e-19 4.76009882314668e-19 4.45099088514906e-19 3.9820818496762796e-19 3.25629583447428e-19 2.1445775116743598e-19 4.81649544066348e-20 -1.9403640779047197e-19 -5.380397528766119e-19 -1.0158713100241379e-18 -1.6722077746721397e-18 -2.59981998045912e-18 -3.989195513931239e-18 -6.1517975127381e-18 -9.529249944275459e-18 -1.471365320540436e-17 -2.25615309246612e-17 -3.49609361128506e-17 -5.70475818831942e-17 -1.046027478629286e-16 ] } }