{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0662807 0.8720519 0.0908129 ] [ 1.491471 1.392356 0.9155942 ] [ 0.0089195 1.355999 1.632084 ] [ 2.755779 1.093572 2.625507 ] [ 1.848544 2.519779 2.293479 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.62807e-12 8.720519e-11 9.08129e-12 ] [ 1.491471e-10 1.392356e-10 9.155942e-11 ] [ 8.919500000000001e-13 1.355999e-10 1.632084e-10 ] [ 2.755779e-10 1.093572e-10 2.625507e-10 ] [ 1.848544e-10 2.519779e-10 2.293479e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.6757186 -13.1642899 -35.7915538 ] [ 35.856678 -2.1468653 -7.4113785 ] [ -21.8507888 5.8404258 34.8280465 ] [ 12.6288108 -20.9593169 3.9724444 ] [ -9.9589814 30.4300463 4.4024413 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.671744669607919e-08 -2.109151768098219e-08 -5.734439119291391e-08 ] [ 5.744873166446185e-08 -3.4396574200054e-09 -1.187433745842997e-08 ] [ -3.500882324982889e-08 9.357393749370757e-09 5.580068231016547e-08 ] [ 2.023358557896684e-08 -3.358052780178131e-08 6.364557597544149e-09 ] [ -1.595604729752061e-08 4.875430915339815e-08 7.053488583416583e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 14.399385 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.307035819097009e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0815348 0.6049861 0.2553671 ] [ 2.200787 1.8334495 0.5633205 ] [ -0.6380845 1.5070086 1.8367915 ] [ 3.0192056 0.5857849 2.8153344 ] [ 1.5075511 2.7025288 2.0866636 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.153480000000001e-12 6.049861e-11 2.553671e-11 ] [ 2.200787e-10 1.8334495e-10 5.633205e-11 ] [ -6.380845000000001e-11 1.5070086e-10 1.8367915e-10 ] [ 3.0192056e-10 5.857849000000001e-11 2.8153344e-10 ] [ 1.5075511e-10 2.7025288e-10 2.0866636e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.31e-05 -1.65e-05 0.0001562 ] [ 4.85e-05 -2.7e-06 -0.000162 ] [ 0.0001302 8.14e-05 -0.0001385 ] [ 2.45e-05 -3.2e-05 -5.6e-06 ] [ -0.0001801 -3.01e-05 0.00015 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.70102802454e-14 -2.6435914461e-14 2.502599902308e-13 ] [ 7.770556674899999e-14 -4.3258769118e-15 -2.59552614708e-13 ] [ 2.086033977468e-13 1.304171780076e-13 -2.21901463809e-13 ] [ 3.925332753299999e-14 -5.126965228799999e-14 -8.972189150399999e-15 ] [ -2.885520117833999e-13 -4.82255166834e-14 2.403264950999999e-13 ] ] } "relaxed-potential-energy" { "source-value" -11.023506 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.76616037379588e-18 } }