{ "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" [ [ 1.256228 0.2353278 1.625271 ] [ 0.7175946 2.735818 1.079118 ] [ 2.902295 0.4260222 2.532348 ] [ 1.615511 1.481432 2.901286 ] [ 2.936652 2.941975 2.695922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.256228e-10 2.353278e-11 1.625271e-10 ] [ 7.175946e-11 2.735818e-10 1.079118e-10 ] [ 2.902295e-10 4.260222e-11 2.532348e-10 ] [ 1.615511e-10 1.481432e-10 2.901286e-10 ] [ 2.936652e-10 2.941975e-10 2.695922e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.6048502 -10.925977 -16.4237365 ] [ 0.2243505 0.8777547 -1.1137196 ] [ 26.318451 -13.1973757 0.4611824 ] [ -18.5905647 16.5454999 18.9567852 ] [ 4.6526134 6.7000981 -1.8805115 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.01951962991262e-08 -1.750534490879852e-08 -2.631372664647962e-08 ] [ 3.594491259647904e-10 1.406318059137318e-09 -1.784375505246728e-09 ] [ 4.216680688787038e-08 -2.114452680245404e-08 7.388956592044339e-10 ] [ -2.978536812980977e-08 2.650881311922874e-08 3.037211805296745e-08 ] [ 7.454308415100798e-09 1.07347405328865e-08 -3.012911560445539e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.54590705 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.746395126398967e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.8011438 0.0190305 1.5348675 ] [ 1.4000193 2.3811933 1.0024422 ] [ 3.135747 0.7397331 2.03703 ] [ 1.1212033 1.5714173 3.460897 ] [ 2.9701672 3.1092009 2.7987082 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.011438e-11 1.90305e-12 1.5348675e-10 ] [ 1.4000193e-10 2.3811933e-10 1.0024422e-10 ] [ 3.135747e-10 7.397331e-11 2.03703e-10 ] [ 1.1212033e-10 1.5714173e-10 3.460897e-10 ] [ 2.9701672e-10 3.1092009e-10 2.7987082e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.73e-05 4.2e-05 9.6e-06 ] [ 2.35e-05 -3.91e-05 1.96e-05 ] [ -6.64e-05 4.46e-05 -8.5e-06 ] [ 1.28e-05 1.9e-06 -5.5e-06 ] [ -1.72e-05 -4.94e-05 -1.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.578295416384e-14 6.72914180736e-14 1.538089555968e-14 ] [ 3.76511505888e-14 -6.264510587328001e-14 3.140266176767999e-14 ] [ -1.0638452762112e-13 7.145707728768e-14 -1.36185012768e-14 ] [ 2.050786074624e-14 3.04413557952e-15 -8.8119714144e-15 ] [ -2.755743787776e-14 -7.914752506752001e-14 -2.451330229824e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.840953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.538000454779163e-18 } }