{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.1789078 -8.4496262 -1.4140162 ] [ 6.7028333 -4.7855289 -3.3178754 ] [ 5.5714919 -20.0714781 6.9092448 ] [ 10.2962128 11.1770132 -5.0599233 ] [ -8.332517 4.3975428 -16.992504 ] [ 6.440037 2.0902512 13.9591811 ] [ -7.4991502 15.6418259 5.9158931 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.111493796483876e-08 -1.353779355213915e-08 -2.265503697072457e-09 ] [ 1.073912280637971e-08 -7.667262521742741e-09 -5.315822396607448e-09 ] [ 8.926514065156572e-09 -3.215805295671921e-08 1.106983048594397e-08 ] [ 1.649635143094171e-08 1.790754923941299e-08 -8.106890814301185e-09 ] [ -1.335016392981855e-08 7.045640263127371e-09 -2.722499263765048e-08 ] [ 1.031807671848697e-08 3.348951604239145e-09 2.236507360393323e-08 ] [ -1.201496312630764e-08 2.506096776360392e-08 9.478305615972036e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.5765293 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.93458486966619e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.35542 2.4701642 2.7188661 ] [ 6.0055434 2.3029644 2.0446099 ] [ 4.388316 1.2888201 3.4989997 ] [ 4.9083363 4.3969015 1.6314034 ] [ 3.0101361 3.3349804 0.5442351 ] [ 4.6642245 2.9960587 5.20838 ] [ 3.5649328 4.5585656 3.7064887 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.35542e-10 2.4701642e-10 2.7188661e-10 ] [ 6.0055434e-10 2.3029644e-10 2.0446099e-10 ] [ 4.388316e-10 1.2888201e-10 3.4989997e-10 ] [ 4.9083363e-10 4.396901500000001e-10 1.6314034e-10 ] [ 3.0101361e-10 3.3349804e-10 5.442351e-11 ] [ 4.664224500000001e-10 2.9960587e-10 5.20838e-10 ] [ 3.5649328e-10 4.5585656e-10 3.7064887e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.5e-06 1.32e-05 -9.3e-06 ] [ 8.2e-06 1.16e-05 6.8e-06 ] [ -7.6e-06 -1.4e-05 -9e-06 ] [ -1.17e-05 -5.7e-06 -7.3e-06 ] [ 1.2e-06 -8.9e-06 1.47e-05 ] [ 8.2e-06 -1.02e-05 1.36e-05 ] [ -1.7e-06 1.41e-05 -9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.6076181728e-15 2.114873139456e-14 -1.490024257344e-14 ] [ 1.313784829056e-14 1.858524880128e-14 1.089480102144e-14 ] [ -1.217654231808e-14 -2.24304726912e-14 -1.44195895872e-14 ] [ -1.874546646336e-14 -9.13240673856e-15 -1.169588933184e-14 ] [ 1.92261194496e-15 -1.425937192512e-14 2.355199632576e-14 ] [ 1.313784829056e-14 -1.634220153216e-14 2.178960204288e-14 ] [ -2.72370025536e-15 2.259069035328e-14 -1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }