{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.5642052 -6.9749557 -12.8924485 ] [ -12.1628429 -6.4024808 9.7833256 ] [ -11.3499834 17.8821048 -5.6769957 ] [ 7.1761029 -2.363469 -4.339266 ] [ 11.3581078 -17.7144865 8.4868356 ] [ 6.732304 8.8369474 -4.8659213 ] [ 7.8105169 6.7363398 9.5044703 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.532354596797379e-08 -1.11751109536557e-08 -2.065597957156803e-08 ] [ -1.948702253684327e-08 -1.025790505288088e-08 1.567461554999413e-08 ] [ -1.818467804994809e-08 2.865029024125546e-08 -9.09554978692213e-09 ] [ 1.149738429483508e-08 -3.786694775785555e-09 -6.952270536632333e-09 ] [ 1.819769477368612e-08 -2.838173611977722e-08 1.359740958289314e-08 ] [ 1.078634007291832e-08 1.415835052351934e-08 -7.796065345512743e-09 ] [ 1.251382757354329e-08 1.079280613732455e-08 1.522784010774796e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.8789996 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.612665850412552e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1113236 2.1877534 1.428263 ] [ 1.8042494 2.345464 4.0122233 ] [ 1.9683501 4.5084861 2.6071665 ] [ 4.4609046 2.3257019 1.9150317 ] [ 4.142751 1.9092859 4.3043794 ] [ 4.3545261 4.7006357 2.4912157 ] [ 4.9912641 4.1106371 4.7248684 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1113236e-10 2.1877534e-10 1.428263e-10 ] [ 1.8042494e-10 2.345464e-10 4.0122233e-10 ] [ 1.9683501e-10 4.5084861e-10 2.6071665e-10 ] [ 4.4609046e-10 2.3257019e-10 1.9150317e-10 ] [ 4.142751e-10 1.9092859e-10 4.3043794e-10 ] [ 4.3545261e-10 4.7006357e-10 2.4912157e-10 ] [ 4.9912641e-10 4.1106371e-10 4.7248684e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.7e-06 1.4e-05 -1.14e-05 ] [ -3.77e-05 -1.6e-05 -4.7e-06 ] [ 1.13e-05 -2.44e-05 1.5e-05 ] [ -2.4e-06 -1.57e-05 -2.58e-05 ] [ 1.15e-05 3.89e-05 1.21e-05 ] [ 9.1e-06 -7.3e-06 9.2e-06 ] [ 1.29e-05 1.05e-05 5.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.53023011776e-15 2.24304726912e-14 -1.826481347712e-14 ] [ -6.040205860416e-14 -2.56348259328e-14 -7.53023011776e-15 ] [ 1.810459581504e-14 -3.909310954752e-14 2.4032649312e-14 ] [ -3.84522388992e-15 -2.515417294656e-14 -4.133615681664e-14 ] [ 1.84250311392e-14 6.232467054911999e-14 1.938633711168e-14 ] [ 1.457980724928e-14 -1.169588933184e-14 1.474002491136e-14 ] [ 2.066807840832e-14 1.68228545184e-14 8.8119714144e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }