{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.4270629 -25.8105167 0.2349444 ] [ -8.4262739 4.9102259 -7.8121521 ] [ -1.4351209 1.3342271 8.2554121 ] [ 13.3934536 19.856007 -4.1740921 ] [ -0.5920342 -7.7105382 4.7581395 ] [ 4.5053513 0.9011643 -2.1363894 ] [ 1.9816871 6.5194307 0.8741377 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.510381990562828e-08 -4.135300676820679e-08 3.764224279691496e-10 ] [ -1.350037915426405e-08 7.86704920464162e-09 -1.251644755587403e-08 ] [ -2.299317172945051e-09 2.137667484069581e-09 1.322662837066087e-08 ] [ 2.145867840648318e-08 3.181283045994044e-08 -6.687632830783991e-09 ] [ -9.485433617688825e-10 -1.235364413960442e-08 7.623379928212443e-09 ] [ 7.218368580821524e-09 1.443824384854966e-09 -3.422873177805279e-09 ] [ 3.175012767519221e-09 1.044527953452226e-08 1.400522997838502e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.9570805 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.274864845195704e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9667323 0.0943051 1.804353 ] [ 1.7321113 2.2751547 2.425519 ] [ 1.8261487 2.2641011 4.8498014 ] [ 4.1472765 2.3317156 1.8844999 ] [ 3.5859175 0.4974187 5.1891223 ] [ 5.015471 2.3384759 4.2158527 ] [ 3.5056907 4.1035158 5.2086267 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.667323e-11 9.43051e-12 1.804353e-10 ] [ 1.7321113e-10 2.2751547e-10 2.425519e-10 ] [ 1.8261487e-10 2.2641011e-10 4.8498014e-10 ] [ 4.147276500000001e-10 2.3317156e-10 1.8844999e-10 ] [ 3.5859175e-10 4.974187e-11 5.1891223e-10 ] [ 5.015471e-10 2.3384759e-10 4.2158527e-10 ] [ 3.5056907e-10 4.1035158e-10 5.2086267e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.6e-06 -2.04e-05 -2e-05 ] [ 6.36e-05 1.26e-05 -6.09e-05 ] [ 3.57e-05 -9.7e-06 6.83e-05 ] [ -6.33e-05 1.03e-05 -1.77e-05 ] [ -2.91e-05 2.81e-05 2.93e-05 ] [ -2.59e-05 2.5e-06 -4.9e-06 ] [ 1.34e-05 -2.35e-05 6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.972189150399999e-15 -3.26844033336e-14 -3.204353268e-14 ] [ 1.018984339224e-13 2.01874255884e-14 -9.757255701059999e-14 ] [ 5.719770583379999e-14 -1.55411133498e-14 1.094286641022e-13 ] [ -1.014177809322e-13 1.65024193302e-14 -2.83585264218e-14 ] [ -4.66233400494e-14 4.50211634154e-14 4.69437753762e-14 ] [ -4.149637482059999e-14 4.005441585e-15 -7.850665506599998e-15 ] [ 2.14691668956e-14 -3.765115089899999e-14 9.613059803999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.528281 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.288993215438615e-18 } }