{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.097192e-10 1.4859269e-10 2.3809221e-10 ] [ 2.5012531e-10 2.0404923e-10 4.6776238e-10 ] [ 1.5959345e-10 3.7149269e-10 3.1066276e-10 ] [ 4.287874900000001e-10 2.090774e-10 1.7596608e-10 ] [ 4.8148108e-10 2.1277745e-10 4.0558369e-10 ] [ 3.6212389e-10 4.3391804e-10 1.9868749e-10 ] [ 3.6551957e-10 4.200867e-10 4.3794609e-10 ] ] "source-value" [ [ 2.097192 1.4859269 2.3809221 ] [ 2.5012531 2.0404923 4.6776238 ] [ 1.5959345 3.7149269 3.1066276 ] [ 4.2878749 2.090774 1.7596608 ] [ 4.8148108 2.1277745 4.0558369 ] [ 3.6212389 4.3391804 1.9868749 ] [ 3.6551957 4.200867 4.3794609 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.47415978454272e-12 5.48745492624e-13 3.540810331968e-14 ] [ -9.3743354083008e-13 -8.42232206022144e-12 3.6177148097664e-12 ] [ 1.6726723921152e-13 2.1973852354272e-12 -1.19378180015808e-12 ] [ 2.42024800338048e-12 -5.646070411699199e-13 -1.57349765928768e-12 ] [ 1.07538094788096e-12 2.275090801536e-14 4.37890892230848e-12 ] [ -1.11223101015936e-12 3.60105217291008e-12 -3.3181077816768e-12 ] [ 1.86108836272128e-12 2.61731572773888e-12 -1.946644594272e-12 ] ] "source-value" [ [ -0.0021684 0.0003425 2.21e-05 ] [ -0.0005851 -0.0052568 0.002258 ] [ 0.0001044 0.0013715 -0.0007451 ] [ 0.0015106 -0.0003524 -0.0009821 ] [ 0.0006712 1.42e-05 0.0027331 ] [ -0.0006942 0.0022476 -0.002071 ] [ 0.0011616 0.0016336 -0.001215 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.951058550524862e-18 "source-value" -24.660568 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.029100754110413e-10 -6.931113794354669e-10 -1.914382685182585e-09 ] [ -5.903005067670413e-10 -1.301363954803248e-09 2.381513941613681e-09 ] [ -2.377638116150304e-09 2.349495883805952e-11 -1.418536258047539e-09 ] [ -1.555843755756071e-09 8.107837220031091e-10 -3.57778055749296e-09 ] [ 1.340953899320878e-09 4.088491979315789e-10 2.888062267705023e-09 ] [ 5.793638889357983e-10 -7.126624203037651e-10 4.16872257577897e-10 ] [ 2.906374665827782e-09 1.464009875769733e-09 1.224251033826482e-09 ] ] "source-value" [ [ -0.1890616 -0.4326061 -1.1948637 ] [ -0.3684366 -0.8122475 1.4864241 ] [ -1.484005 0.0146644 -0.8853807 ] [ -0.9710813 0.5060514 -2.233075 ] [ 0.8369576 0.2551836 1.8025867 ] [ 0.3616105 -0.4448089 0.2601912 ] [ 1.8140164 0.9137631 0.7641174 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.788712076368805e-18 "source-value" -23.647281 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] "source-value" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] } "instance-id" 1 }