{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0387759 0.1854203 -3.850054 ] [ -9.6102375 0.3081053 3.9257588 ] [ -57.6657401 -1.9437541 10.799583 ] [ 5.1195043 -17.7881866 -4.3936866 ] [ 3.6160114 -7.1595667 6.8180965 ] [ 51.9013352 17.6280253 -17.5404937 ] [ 5.6003508 8.7699564 4.2407959 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.664302474942321e-09 2.970760721292702e-10 -6.168466558438235e-09 ] [ -1.539729796969057e-08 4.936391124715602e-10 6.289759020079879e-09 ] [ -9.239070137053681e-08 -3.114237401261699e-09 1.730283953954362e-08 ] [ 8.202350167122526e-09 -2.84998169317519e-08 -7.039462007638903e-09 ] [ 5.793488973357626e-09 -1.147089047630449e-08 1.092379490065718e-08 ] [ 8.315510653084171e-08 2.824321023922084e-08 -2.81029691549642e-08 ] [ 8.972751193963207e-09 1.405101922527875e-08 6.794504100543e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.931468 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.911631923891871e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4010043 1.1387363 1.4016359 ] [ 1.0798128 1.8426686 3.9304259 ] [ 1.3076096 3.7219185 1.9601201 ] [ 3.8942388 1.4469649 1.9838515 ] [ 3.4619667 0.8711306 4.5016691 ] [ 3.8367502 3.9630241 1.2599798 ] [ 3.3037697 3.4886777 3.8629547 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4010043e-10 1.1387363e-10 1.4016359e-10 ] [ 1.0798128e-10 1.8426686e-10 3.9304259e-10 ] [ 1.3076096e-10 3.7219185e-10 1.9601201e-10 ] [ 3.8942388e-10 1.4469649e-10 1.9838515e-10 ] [ 3.4619667e-10 8.711306e-11 4.5016691e-10 ] [ 3.8367502e-10 3.963024100000001e-10 1.2599798e-10 ] [ 3.3037697e-10 3.4886777e-10 3.8629547e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.9e-06 1.26e-05 1.08e-05 ] [ -4e-07 2.9e-06 -8.5e-06 ] [ 4.8e-06 5.2e-06 -1.15e-05 ] [ 9e-06 -4.1e-06 -3.5e-06 ] [ 1.2e-05 -1.92e-05 1.81e-05 ] [ -1.24e-05 2.9e-06 2.8e-06 ] [ -9.1e-06 -4e-07 -8.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.248488872599999e-15 2.01874255884e-14 1.73035076472e-14 ] [ -6.408706536e-16 4.6463122386e-15 -1.3618501389e-14 ] [ 7.690447843199998e-15 8.331318496799998e-15 -1.8425031291e-14 ] [ 1.4419589706e-14 -6.568924199399999e-15 -5.607618218999999e-15 ] [ 1.9226119608e-14 -3.076179137279999e-14 2.899939707539999e-14 ] [ -1.98669902616e-14 4.6463122386e-15 4.486094575199999e-15 ] [ -1.45798073694e-14 -6.408706536e-16 -1.31378483988e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.766486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.968028517548812e-18 } }