{ "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" [ [ -1.6514566 -0.4994049 -2.0760182 ] [ -0.1280676 -1.0399779 2.0495675 ] [ 1.2410991 -0.8976513 -0.6758925 ] [ 0.346073 1.9040782 2.0779426 ] [ -1.0696756 0.0626717 0.9426928 ] [ 0.8417722 2.7810214 -1.3130348 ] [ 0.4202554 -2.3107372 -1.0052572 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.645925154785857e-09 -8.001348550929619e-10 -3.326147824395299e-09 ] [ -2.051869146019661e-10 -1.66622827752868e-09 3.283769131251505e-09 ] [ 1.988459962115921e-09 -1.438195926490727e-09 -1.082899161674064e-09 ] [ 5.544700696901183e-10 3.050669576214947e-09 3.329231053084366e-09 ] [ -1.713809238160213e-09 1.004111325257913e-10 1.51036036475649e-09 ] [ 1.348667738879382e-09 4.455687469024486e-09 -2.103713658856804e-09 ] [ 6.733233766449523e-10 -3.702209118652854e-09 -1.61059958373087e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.131883 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.065265565448097e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2363226 1.7427127 1.439625 ] [ 2.1808054 1.3035853 3.7459309 ] [ 4.2550884 1.0904434 2.5374892 ] [ 3.6856867 2.8811486 4.5259732 ] [ 5.1086551 3.2429933 2.2175767 ] [ 3.0798601 3.8699109 1.1234169 ] [ 3.5649137 4.7942633 3.227039 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2363226e-10 1.7427127e-10 1.439625e-10 ] [ 2.1808054e-10 1.3035853e-10 3.7459309e-10 ] [ 4.2550884e-10 1.0904434e-10 2.5374892e-10 ] [ 3.6856867e-10 2.8811486e-10 4.5259732e-10 ] [ 5.1086551e-10 3.2429933e-10 2.2175767e-10 ] [ 3.0798601e-10 3.8699109e-10 1.1234169e-10 ] [ 3.5649137e-10 4.794263300000001e-10 3.227039e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.18e-05 -2.4e-05 -3.33e-05 ] [ 6.4e-06 3.39e-05 4.95e-05 ] [ 4.79e-05 -7e-06 -7.4e-06 ] [ -2.73e-05 -2.08e-05 1.4e-05 ] [ 5.4e-06 -1.37e-05 -6.6e-06 ] [ 7.1e-06 4.51e-05 -1.87e-05 ] [ -7.7e-06 -1.35e-05 2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.094921654144e-14 -3.84522388992e-14 -5.335248147264001e-14 ] [ 1.025393037312e-14 5.431378744512e-14 7.930774272959999e-14 ] [ 7.674426013632e-14 -1.12152363456e-14 -1.185610699392e-14 ] [ -4.373942174784e-14 -3.332527371264e-14 2.24304726912e-14 ] [ 8.65175375232e-15 -2.194981970496e-14 -1.057436569728e-14 ] [ 1.137545400768e-14 7.225816559807999e-14 -2.996070280896e-14 ] [ -1.233675998016e-14 -2.16293843808e-14 4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.589174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.619184646598322e-18 } }