{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.2534843 1.339839 -10.6831601 ] [ -11.4976164 -8.4778794 8.3488183 ] [ 16.8909143 -1.3684344 -4.3984675 ] [ 3.4964611 10.5700973 9.334636 ] [ 1.8818919 3.0920395 1.5676802 ] [ 2.8750234 7.6053918 5.0794171 ] [ -0.39319 -12.7610538 -9.2489239 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.123442286454584e-08 2.146658739121926e-09 -1.71163094895011e-08 ] [ -1.842121234277519e-08 -1.358306028054994e-08 1.33762816017716e-08 ] [ 2.706222821835646e-08 -2.192473620841809e-09 -7.047121853908394e-09 ] [ 5.601948276109937e-09 1.693516291316649e-08 1.495573568609522e-08 ] [ 3.015123229893864e-09 4.953993438305042e-09 2.511700586024447e-09 ] [ 4.606295313683235e-09 1.21851810343752e-08 8.13812339196004e-09 ] [ -6.299598307224599e-10 -2.04454622235769e-08 -1.481840976222415e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -17.338233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.777891178744772e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2120718 1.6566503 1.5436184 ] [ 1.8841705 1.1744433 3.995247 ] [ 3.958144 0.2646618 2.7171505 ] [ 3.8751381 2.6707919 3.5095832 ] [ 5.5093695 4.1080061 2.188922 ] [ 3.1201015 3.8539656 1.3754586 ] [ 3.5523367 5.1965385 3.4870712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2120718e-10 1.6566503e-10 1.5436184e-10 ] [ 1.8841705e-10 1.1744433e-10 3.995247e-10 ] [ 3.958144e-10 2.646618e-11 2.7171505e-10 ] [ 3.8751381e-10 2.6707919e-10 3.5095832e-10 ] [ 5.5093695e-10 4.1080061e-10 2.188922e-10 ] [ 3.1201015e-10 3.8539656e-10 1.3754586e-10 ] [ 3.5523367e-10 5.1965385e-10 3.4870712e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.05e-05 -8.42e-05 -6.64e-05 ] [ -7.38e-05 7.13e-05 0.0001454 ] [ -6e-05 -0.000175 -0.0001101 ] [ 9.03e-05 0.0001072 -5.76e-05 ] [ -5.38e-05 0.0001682 1.87e-05 ] [ 0.0001624 -6.09e-05 5.29e-05 ] [ -3.46e-05 -2.66e-05 1.72e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.886638733699999e-14 -1.349032725828e-13 -1.063845284976e-13 ] [ -1.182406355892e-13 1.142351940042e-13 2.329564825836e-13 ] [ -9.613059803999999e-14 -2.803809109499999e-13 -1.763996474034e-13 ] [ 1.446765500502e-13 1.717533351648e-13 -9.228537411839999e-14 ] [ -8.619710290919999e-14 2.694861098387999e-13 2.99607030558e-14 ] [ 2.601934853616e-13 -9.757255701059999e-14 8.475514393859999e-14 ] [ -5.54353115364e-14 -4.26178984644e-14 2.75574381048e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.356502 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.902341839037427e-18 } }