{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Ca" ] } "a" { "source-value" [ 5.46685 5.100552 4.873534 4.708594 4.578971 4.472177 4.381361 4.302359 4.232448 4.16975 4.112915 4.060939 4.013057 3.968671 3.927304 3.888572 3.85216 3.817804 3.785286 3.754418 3.725041 3.697018 3.670229 3.64457 3.61863 3.591899 3.564326 3.535858 3.506434 3.475988 3.444445 3.411725 3.377735 3.342374 3.305525 3.267059 3.226827 3.184658 3.140358 3.093697 3.044413 2.99219 2.936657 2.877365 2.813769 2.745193 2.670793 2.589485 2.499854 2.400001 2.287289 2.15791 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.466850000000001e-10 5.100552e-10 4.873534e-10 4.708594e-10 4.5789710000000005e-10 4.472177e-10 4.381361e-10 4.3023590000000004e-10 4.232448e-10 4.16975e-10 4.1129150000000005e-10 4.0609390000000004e-10 4.013057e-10 3.968671e-10 3.927304e-10 3.8885720000000003e-10 3.85216e-10 3.817804e-10 3.785286e-10 3.754418e-10 3.725041e-10 3.697018e-10 3.6702290000000004e-10 3.64457e-10 3.61863e-10 3.5918990000000005e-10 3.564326e-10 3.535858e-10 3.5064340000000004e-10 3.475988e-10 3.444445e-10 3.4117250000000004e-10 3.377735e-10 3.342374e-10 3.305525e-10 3.2670590000000004e-10 3.226827e-10 3.1846580000000004e-10 3.140358e-10 3.0936970000000005e-10 3.0444130000000004e-10 2.99219e-10 2.936657e-10 2.877365e-10 2.813769e-10 2.7451930000000003e-10 2.670793e-10 2.589485e-10 2.499854e-10 2.4000010000000003e-10 2.287289e-10 2.1579100000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.546143 0.720281 0.848024 0.94955 1.03354 1.10466 1.16581 1.21882 1.26506 1.30552 1.34097 1.37206 1.39925 1.42293 1.44345 1.46107 1.47602 1.48851 1.49871 1.50679 1.51288 1.51708 1.51954 1.52034 1.51948 1.51669 1.51165 1.50395 1.49311 1.47854 1.45956 1.43536 1.40489 1.36693 1.31991 1.26199 1.19072 1.10302 0.994983 0.861627 0.696336 0.49024 0.231424 -0.0963798 -0.516123 -1.06087 -1.77939 -2.74634 -4.08018 -5.97876 -8.79216 -13.1901 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.75017553422662e-20 1.1540173881141538e-19 1.358684237871216e-19 1.5213468228147e-19 1.6559136383043597e-19 1.76986044051444e-19 1.8678335416835399e-19 1.9527649250518798e-19 2.02684957260804e-19 2.0916736392196798e-19 2.1484708008949798e-19 2.19828247244604e-19 2.2418456551245e-19 2.2797851978176197e-19 2.3126618623472996e-19 2.34089221463838e-19 2.36484475531668e-19 2.3848559414753397e-19 2.40119814314214e-19 2.41414373034486e-19 2.4239009860459197e-19 2.43063012790872e-19 2.4345714824283596e-19 2.43585322373556e-19 2.4344753518303196e-19 2.43000527902146e-19 2.4219303087860996e-19 2.4095935487042997e-19 2.39222595399174e-19 2.3688822404343597e-19 2.3384729279210397e-19 2.29970025337824e-19 2.25088193134026e-19 2.1900633063136196e-19 2.1147289609829396e-19 2.0219308903416599e-19 1.90774376163648e-19 1.7672328708346798e-19 1.5941385138272218e-19 1.380478646623518e-19 1.115653268613024e-19 7.854510730521599e-20 3.7078212534681593e-20 -1.544174635495932e-20 -8.269202108699819e-20 -1.6997011257115799e-19 -2.85089708077326e-19 -4.40012177701956e-19 -6.537169058514121e-19 -9.57902957229384e-19 -1.4086593314389441e-18 -2.11328700201234e-18 ] } }