{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.26541 0.4689135 1.770405 ] [ 0.1075881 2.160004 0.6716672 ] [ 0.5668509 2.899878 2.242644 ] [ 2.824031 1.222886 2.646945 ] [ 2.932592 2.399832 0.52394 ] [ 1.820297 2.092873 2.325497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26541e-10 4.689135e-11 1.770405e-10 ] [ 1.075881e-11 2.160004e-10 6.716672e-11 ] [ 5.668509000000001e-11 2.899878e-10 2.242644e-10 ] [ 2.824031e-10 1.222886e-10 2.646945e-10 ] [ 2.932592e-10 2.399832e-10 5.2394e-11 ] [ 1.820297e-10 2.092873e-10 2.325497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.941632 -26.6155066 -9.5996571 ] [ -9.1749629 -8.7948013 -21.5008658 ] [ -55.7184552 50.2638564 16.0298742 ] [ 95.1058152 -75.9034347 34.3905001 ] [ 4.20393 3.0060919 -5.9388569 ] [ -21.474695 58.0437943 -13.3809946 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.073478022539715e-08 -4.26427424252681e-08 -1.538034617331673e-08 ] [ -1.469991105508737e-08 -1.409082502744145e-08 -3.444818451171829e-08 ] [ -8.927080626853219e-08 8.053157559532845e-08 2.56826896776051e-08 ] [ 1.523763136155653e-07 -1.216107085147595e-07 5.509965523784006e-08 ] [ 6.735438361479744e-09 4.816290162156251e-09 -9.515097679456765e-09 ] [ -3.440625426781065e-08 9.29964102099843e-08 -2.143871671117105e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 44.606682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.146778303186019e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0277367 -0.2549719 1.5370868 ] [ 0.4544809 1.8009905 0.5707614 ] [ 0.0734908 3.378936 2.2602366 ] [ 2.9172526 0.8249689 2.3848491 ] [ 2.7243101 2.3931431 0.5903242 ] [ 2.3194979 3.1013197 2.8378402 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0277367e-10 -2.549719e-11 1.5370868e-10 ] [ 4.544809e-11 1.8009905e-10 5.707614e-11 ] [ 7.34908e-12 3.378936e-10 2.2602366e-10 ] [ 2.9172526e-10 8.249689e-11 2.3848491e-10 ] [ 2.7243101e-10 2.3931431e-10 5.903242e-11 ] [ 2.3194979e-10 3.1013197e-10 2.8378402e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.31e-05 -2.6e-06 1.22e-05 ] [ 1e-05 1.04e-05 -7.2e-06 ] [ -8e-06 -9.1e-06 5.9e-06 ] [ 4.4e-06 1.86e-05 -8.9e-06 ] [ 5.5e-06 -1.9e-06 1.33e-05 ] [ 1.2e-06 -1.54e-05 -1.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.098851373248e-14 -4.16565921408e-15 1.954655477376e-14 ] [ 1.6021766208e-14 1.666263685632e-14 -1.153567166976e-14 ] [ -1.28174129664e-14 -1.457980724928e-14 9.45284206272e-15 ] [ 7.04957713152e-15 2.980048514688e-14 -1.425937192512e-14 ] [ 8.8119714144e-15 -3.04413557952e-15 2.130894905664e-14 ] [ 1.92261194496e-15 -2.467351996032e-14 -2.451330229824e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.152501 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.908351271124862e-18 } }