{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0959977 -4.3877338 -5.3535076 ] [ -2.698494 0.8718807 12.6305468 ] [ -11.4674166 6.5159696 -2.7117225 ] [ 3.1557253 -15.1876264 -4.618482 ] [ 4.9464194 -0.9580609 -8.1953485 ] [ -1.311148 11.2767756 3.6847517 ] [ 13.4709115 1.8687952 4.5637621 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.766864995390571e-09 -7.029924512653944e-09 -8.57726471599512e-09 ] [ -4.323463998169075e-09 1.396906873666738e-09 2.023636679088026e-08 ] [ -1.837282677749383e-08 1.043973415496353e-08 -4.344658391597329e-09 ] [ 5.056029297327066e-09 -2.433325994352487e-08 -7.399623883985625e-09 ] [ 7.925037519351565e-09 -1.534982775282607e-09 -1.313039576600835e-08 ] [ -2.100690672008679e-09 1.806738622432789e-08 5.903623027193056e-09 ] [ 2.158277946616586e-08 2.99413997850326e-09 7.311952939513112e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5694784 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.372981794493059e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7273153 2.4133128 1.6450691 ] [ 2.4495927 2.5805747 5.0439974 ] [ 1.2684282 3.9832159 3.4456512 ] [ 3.4687147 1.2672081 3.1117419 ] [ 4.1178062 3.288396 1.5149191 ] [ 3.2996591 5.2275726 2.9527598 ] [ 4.6693157 3.416126 4.1102785 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7273153e-10 2.4133128e-10 1.6450691e-10 ] [ 2.4495927e-10 2.5805747e-10 5.0439974e-10 ] [ 1.2684282e-10 3.9832159e-10 3.4456512e-10 ] [ 3.4687147e-10 1.2672081e-10 3.1117419e-10 ] [ 4.117806200000001e-10 3.288396e-10 1.5149191e-10 ] [ 3.2996591e-10 5.227572600000001e-10 2.9527598e-10 ] [ 4.6693157e-10 3.416126e-10 4.1102785e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.5e-06 -9e-07 9e-07 ] [ 3.7e-06 3.7e-06 7.1e-06 ] [ 3.8e-06 -1.12e-05 -1.6e-05 ] [ -8.3e-06 9.1e-06 -1e-07 ] [ -1.11e-05 4.6e-06 9.4e-06 ] [ 2.6e-06 1e-07 4.9e-06 ] [ 4.9e-06 -5.5e-06 -6.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.2097947936e-15 -1.44195895872e-15 1.44195895872e-15 ] [ 5.928053496960001e-15 5.928053496960001e-15 1.137545400768e-14 ] [ 6.08827115904e-15 -1.794437815296e-14 -2.56348259328e-14 ] [ -1.329806595264e-14 1.457980724928e-14 -1.6021766208e-16 ] [ -1.778416049088e-14 7.370012455680001e-15 1.506046023552e-14 ] [ 4.16565921408e-15 1.6021766208e-16 7.850665441919999e-15 ] [ 7.850665441919999e-15 -8.8119714144e-15 -1.009371271104e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.473824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.799615228877394e-18 } }