{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6014543 -4.7620594 -6.5470703 ] [ -6.7460443 -12.2349791 5.872444 ] [ -0.0170562 4.7426809 -2.2270636 ] [ -5.8297665 3.2122048 1.1291498 ] [ 2.1522275 -2.3284839 -0.1936593 ] [ -0.4673084 1.9537214 -1.6446965 ] [ 12.5094021 9.4169154 3.610896 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.565812638739629e-09 -7.629660237540874e-09 -1.048956296939404e-08 ] [ -1.08083544603411e-08 -1.960259746999663e-08 9.408692483757235e-09 ] [ -2.732704487968896e-11 7.598612457894703e-09 -3.568149232954683e-09 ] [ -9.340315591023043e-09 5.146519431781539e-09 1.809097410940996e-09 ] [ 3.448248583142832e-09 -3.730642466489205e-09 -3.102764028604935e-10 ] [ -7.487105931834547e-10 3.130206750636645e-09 -2.635094280611587e-09 ] [ 2.004227158480642e-08 1.508756169393148e-08 5.785293151340237e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.6349458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.543688490343515e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.8721831 1.9295956 3.3132117 ] [ 1.9942276 1.4555755 4.9563214 ] [ 2.9401425 4.4560059 3.1105373 ] [ 1.1120943 3.820041 4.757768 ] [ 4.4627814 0.934839 1.0964866 ] [ 3.5308316 3.2399748 1.0277122 ] [ 3.6328956 3.4664253 5.4468823 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.8721831e-10 1.9295956e-10 3.3132117e-10 ] [ 1.9942276e-10 1.4555755e-10 4.9563214e-10 ] [ 2.9401425e-10 4.4560059e-10 3.1105373e-10 ] [ 1.1120943e-10 3.820041e-10 4.757768000000001e-10 ] [ 4.4627814e-10 9.34839e-11 1.0964866e-10 ] [ 3.5308316e-10 3.2399748e-10 1.0277122e-10 ] [ 3.6328956e-10 3.4664253e-10 5.446882300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.4e-06 -1e-07 1.08e-05 ] [ -4.1e-06 -3.5e-06 2e-07 ] [ -2.6e-06 3e-06 -1.21e-05 ] [ 1.1e-05 1.7e-06 -2.6e-06 ] [ -1.8e-06 2.4e-06 -4e-07 ] [ -6.7e-06 2e-06 -1.3e-05 ] [ -5.2e-06 -5.6e-06 1.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.506046023552e-14 -1.6021766208e-16 1.730350750464e-14 ] [ -6.568924145279999e-15 -5.6076181728e-15 3.2043532416e-16 ] [ -4.16565921408e-15 4.8065298624e-15 -1.938633711168e-14 ] [ 1.76239428288e-14 2.72370025536e-15 -4.16565921408e-15 ] [ -2.88391791744e-15 3.84522388992e-15 -6.408706483200001e-16 ] [ -1.073458335936e-14 3.2043532416e-15 -2.08282960704e-14 ] [ -8.33131842816e-15 -8.972189076479999e-15 2.739722021568e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.93878 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.553674068007463e-18 } }