{ "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" [ [ 2.316837 2.864638 1.901515 ] [ 3.52699 0.8132212 1.584521 ] [ 4.498469 2.850966 1.401087 ] [ 3.329161 3.035367 4.525662 ] [ 4.789001 1.444676 3.549999 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.316837e-10 2.864638e-10 1.901515e-10 ] [ 3.52699e-10 8.132212e-11 1.584521e-10 ] [ 4.498469e-10 2.850966e-10 1.401087e-10 ] [ 3.329161e-10 3.035367e-10 4.525662e-10 ] [ 4.789001e-10 1.444676e-10 3.549999e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3730464 -0.456659 3.065565 ] [ -0.1555906 0.3570629 0.9110788 ] [ 1.584337 -0.3783558 1.0723091 ] [ -0.7852413 -0.5607999 -3.1236493 ] [ -1.0165515 1.0387518 -1.9253037 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.976862205536051e-10 -7.316483734779072e-10 4.911576572542752e-09 ] [ -2.492836217362445e-10 5.720778305350483e-10 1.459709153066519e-09 ] [ 2.538387700868409e-09 -6.061928171040807e-10 1.718028570291089e-09 ] [ -1.258095252546599e-09 -8.985004887269779e-10 -5.004637880038285e-09 ] [ -1.628695047139171e-09 1.664263848773918e-09 -3.084676576079737e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.204025 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.756388663865872e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.253197 2.5886432 2.2063898 ] [ 3.56755 0.8377734 1.4363932 ] [ 4.4891336 2.9625638 1.8669064 ] [ 3.5437087 3.3052642 3.9971945 ] [ 4.6068688 1.3146237 3.4559001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.253197e-10 2.5886432e-10 2.2063898e-10 ] [ 3.56755e-10 8.377734000000001e-11 1.4363932e-10 ] [ 4.4891336e-10 2.9625638e-10 1.8669064e-10 ] [ 3.5437087e-10 3.3052642e-10 3.9971945e-10 ] [ 4.6068688e-10 1.3146237e-10 3.4559001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.16e-05 -7.2e-06 -4.18e-05 ] [ -1.68e-05 -1.25e-05 7.76e-05 ] [ -4.5e-06 2.27e-05 -5.9e-06 ] [ -9.5e-06 -1.87e-05 4.42e-05 ] [ -2.07e-05 1.57e-05 -7.41e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.267231363328e-14 -1.153567166976e-14 -6.697098274944e-14 ] [ -2.691656722944e-14 -2.002720776e-14 1.2432890577408e-13 ] [ -7.2097947936e-15 3.636940929216e-14 -9.45284206272e-15 ] [ -1.52206778976e-14 -2.996070280896e-14 7.081620663936001e-14 ] [ -3.316505605055999e-14 2.515417294656e-14 -1.1872128760128e-13 ] ] } "relaxed-potential-energy" { "source-value" -20.467452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.279247308174621e-18 } }