{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3528174 -16.3408934 -5.8876128 ] [ -0.1488156 0.4213181 -2.2608868 ] [ -7.466872 0.3086348 -5.3189574 ] [ -4.8889684 -1.4383331 13.1355648 ] [ -1.8300611 17.9697284 0.1932891 ] [ 5.1595956 4.1168622 -5.438483 ] [ 10.5279389 -5.0373171 5.5770861 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.167452410491442e-09 -2.618099736846502e-08 -9.432995580482827e-09 ] [ -2.384288751303245e-10 6.750260097398764e-10 -3.622339973235326e-09 ] [ -1.196324774890614e-08 4.944874609252838e-10 -8.521909193311154e-09 ] [ -7.832990870309983e-09 -2.304463665742788e-09 2.104549482356343e-08 ] [ -2.932081109055531e-09 2.879067872460579e-08 3.096832770754733e-10 ] [ 8.266583443102549e-09 6.595940367895254e-09 -8.713410315218246e-09 ] [ 1.686761757079087e-08 -8.070671689176057e-09 8.935476961608652e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.95282552 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.526594771845603e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2921223 0.4989902 2.8758244 ] [ 2.9661443 2.9249067 0.4367952 ] [ 1.180511 2.4441961 2.0157816 ] [ 2.9790245 2.8365773 5.3963627 ] [ 2.1336801 4.1520763 3.5361369 ] [ 4.3619499 3.5360126 2.3299057 ] [ 4.2555208 1.5353739 3.7869471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2921223e-10 4.989902e-11 2.8758244e-10 ] [ 2.9661443e-10 2.9249067e-10 4.367952e-11 ] [ 1.180511e-10 2.4441961e-10 2.0157816e-10 ] [ 2.9790245e-10 2.8365773e-10 5.3963627e-10 ] [ 2.1336801e-10 4.1520763e-10 3.5361369e-10 ] [ 4.3619499e-10 3.5360126e-10 2.3299057e-10 ] [ 4.255520800000001e-10 1.5353739e-10 3.7869471e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.34e-05 -1.98e-05 2.59e-05 ] [ 1.52e-05 1.2e-05 4.04e-05 ] [ 5.05e-05 8.2e-06 1.85e-05 ] [ 1.9e-06 -5.1e-06 -3.76e-05 ] [ -5.7e-06 -1.67e-05 -1.22e-05 ] [ -1.93e-05 8e-07 -3.6e-06 ] [ -1.91e-05 2.06e-05 -3.14e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.749093292672001e-14 -3.172309709184e-14 4.149637447872e-14 ] [ 2.435308463616e-14 1.92261194496e-14 6.472793548032e-14 ] [ 8.090991935040001e-14 1.313784829056e-14 2.96402674848e-14 ] [ 3.04413557952e-15 -8.17110076608e-15 -6.024184094208e-14 ] [ -9.13240673856e-15 -2.675634956736e-14 -1.954655477376e-14 ] [ -3.092200878144e-14 1.28174129664e-15 -5.76783583488e-15 ] [ -3.060157345728e-14 3.300483838848e-14 -5.030834589312e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }