{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4184945 4.1550404 12.0009932 ] [ 8.6334145 -5.2345446 -1.4862948 ] [ 1.1356923 2.7308696 -0.0669098 ] [ -6.5757454 -1.6604116 -10.0318425 ] [ 1.6081189 -1.8765986 0.8860225 ] [ 0.7638382 6.090851 0.5940092 ] [ -5.9838132 -4.2052062 -1.8959778 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.705021093575129e-10 6.657108642206013e-09 1.922771088983289e-08 ] [ 1.383225498353679e-08 -8.386665047750875e-09 -2.381306799795703e-09 ] [ 1.819579666473718e-09 4.375335463620926e-09 -1.072013181456132e-10 ] [ -1.053550563101298e-08 -2.660272668342554e-09 -1.607278364946814e-08 ] [ 2.576490526273782e-09 -3.006642428317112e-09 1.419564546698265e-09 ] [ 1.223803716196619e-09 9.758619153375532e-09 9.517076606210327e-10 ] [ -9.58712569126077e-09 -6.73748311479193e-09 -3.037691329742725e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.881635 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.345606767671659e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5887251 1.6899473 1.4501245 ] [ 2.3914402 4.0751984 1.8631245 ] [ 4.7849925 3.1452114 1.3509238 ] [ 4.6983504 0.8657536 2.3556497 ] [ 4.6472331 1.019902 4.7748648 ] [ 5.7448859 2.8557176 3.6329759 ] [ 4.1749569 4.7061737 3.3862295 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5887251e-10 1.6899473e-10 1.4501245e-10 ] [ 2.3914402e-10 4.0751984e-10 1.8631245e-10 ] [ 4.7849925e-10 3.1452114e-10 1.3509238e-10 ] [ 4.6983504e-10 8.657536000000001e-11 2.3556497e-10 ] [ 4.6472331e-10 1.019902e-10 4.7748648e-10 ] [ 5.7448859e-10 2.8557176e-10 3.6329759e-10 ] [ 4.1749569e-10 4.7061737e-10 3.3862295e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.12e-05 1.66e-05 3.89e-05 ] [ 1.61e-05 -2.08e-05 2.19e-05 ] [ -6.11e-05 4.42e-05 3.14e-05 ] [ -1.05e-05 -0.0001134 -5.86e-05 ] [ -8.19e-05 3.03e-05 9.7e-06 ] [ 5.19e-05 4.05e-05 -3.76e-05 ] [ -5.6e-06 2.7e-06 -5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.461185090208e-13 2.65961321244e-14 6.232467106259999e-14 ] [ 2.579504380739999e-14 -3.332527398719999e-14 3.50876682846e-14 ] [ -9.789299233739998e-14 7.08162072228e-14 5.030834630759999e-14 ] [ -1.6822854657e-14 -1.816868302956e-13 -9.38875507524e-14 ] [ -1.312182663246e-13 4.854595201019999e-14 1.55411133498e-14 ] [ 8.315296730459999e-14 6.4888153677e-14 -6.024184143839999e-14 ] [ -8.972189150399999e-15 4.3258769118e-15 -9.1324068138e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.900176 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.989448016968758e-18 } }