{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.5619009 4.6399647 0.7000455 ] [ -0.0271748 0.5424076 2.4972419 ] [ -3.9954579 -2.102339 -0.4218884 ] [ 0.8889813 -0.3530007 2.2065525 ] [ -2.1231067 0.5152885 -1.2720273 ] [ 2.6590509 -0.3834681 1.417811 ] [ -0.9641937 -2.858853 -5.1277352 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.706794347586479e-09 7.434042963677286e-09 1.121596533596246e-09 ] [ -4.353882923491584e-11 8.69032775664238e-10 4.001022588662172e-09 ] [ -6.401429236770664e-09 -3.368318394796051e-09 -6.759397310667188e-10 ] [ 1.424305055188391e-09 -5.655694686660346e-10 3.535286828067792e-09 ] [ -3.40159191820384e-09 8.255831876671009e-10 -2.038012401079348e-09 ] [ 4.260269185497199e-09 -6.143836246425965e-10 2.271583636913068e-09 ] [ -1.544808604062649e-09 -4.580387438903943e-09 -8.215537455093212e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.383082 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.066818054424931e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9582714 1.8843791 3.3918374 ] [ 2.98952 5.8313384 2.3842441 ] [ 2.6241124 3.5729307 1.7288384 ] [ 4.5345676 2.1330192 1.6562421 ] [ 5.1205166 2.6935502 3.8701256 ] [ 4.9042925 4.4262382 2.2332127 ] [ 3.2420224 4.1640352 4.0634728 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9582714e-10 1.8843791e-10 3.3918374e-10 ] [ 2.98952e-10 5.8313384e-10 2.3842441e-10 ] [ 2.6241124e-10 3.5729307e-10 1.7288384e-10 ] [ 4.5345676e-10 2.1330192e-10 1.6562421e-10 ] [ 5.120516600000001e-10 2.6935502e-10 3.8701256e-10 ] [ 4.904292500000001e-10 4.4262382e-10 2.2332127e-10 ] [ 3.2420224e-10 4.1640352e-10 4.063472800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-07 1.13e-05 7e-07 ] [ -8.9e-06 -9.1e-06 -1.5e-05 ] [ 3.66e-05 -8e-07 -8e-07 ] [ -3.26e-05 3.39e-05 -1.33e-05 ] [ -1.58e-05 3.58e-05 1.07e-05 ] [ -4.4e-06 -3.61e-05 7.1e-06 ] [ 2.45e-05 -3.49e-05 1.06e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.6130597248e-16 1.810459581504e-14 1.12152363456e-15 ] [ -1.425937192512e-14 -1.457980724928e-14 -2.4032649312e-14 ] [ 5.863966432128e-14 -1.28174129664e-15 -1.28174129664e-15 ] [ -5.223095783807999e-14 5.431378744512e-14 -2.130894905664e-14 ] [ -2.531439060864e-14 5.735792302464001e-14 1.714328984256e-14 ] [ -7.04957713152e-15 -5.783857601088001e-14 1.137545400768e-14 ] [ 3.92533272096e-14 -5.591596406592e-14 1.698307218048e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.764656 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.768823596935444e-18 } }