{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4306184 -0.9468801 -2.5030359 ] [ 10.2732383 -1.2132137 8.0895398 ] [ 1.118998 4.5834202 -2.529265 ] [ 0.0 0.0 0.0 ] [ -11.7522731 3.2202932 -2.4275593 ] [ 0.0 0.0 0.0 ] [ 0.7906552 -5.6436196 -0.6296796 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.899267329663027e-10 -1.517069158920766e-09 -4.010305600003087e-09 ] [ 1.645954222416714e-08 -1.943782626174265e-09 1.296087154059111e-08 ] [ 1.792832434321958e-09 7.34344868774246e-09 -4.052329250807712e-09 ] [ 0.0 0.0 0.0 ] [ -1.882921720207674e-08 5.159478477161219e-09 -3.889378756065614e-09 ] [ 0.0 0.0 0.0 ] [ 1.266769276553948e-09 -9.042075379808647e-09 -1.008857933714696e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3559796 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.018340191740174e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5089376 2.1030594 1.1479088 ] [ 3.7631853 1.8422097 5.9885144 ] [ 2.4330554 4.1240264 2.0185452 ] [ 3.9452873 0.4551133 0.8954456 ] [ 4.1331502 3.8334986 5.1328721 ] [ 5.2189918 6.7481973 2.7055381 ] [ 3.8851485 5.1169174 3.3563318 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5089376e-10 2.1030594e-10 1.1479088e-10 ] [ 3.7631853e-10 1.8422097e-10 5.9885144e-10 ] [ 2.4330554e-10 4.1240264e-10 2.0185452e-10 ] [ 3.9452873e-10 4.551133e-11 8.954456e-11 ] [ 4.1331502e-10 3.8334986e-10 5.132872100000001e-10 ] [ 5.218991800000001e-10 6.748197300000001e-10 2.7055381e-10 ] [ 3.8851485e-10 5.1169174e-10 3.3563318e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0066558 0.0436788 -0.0472273 ] [ 0.0271817 -0.0809855 0.1411453 ] [ 0.2081911 0.0373478 0.0558845 ] [ -0.0898917 -0.1235332 -0.0846814 ] [ 0.0383984 0.0329606 0.1407345 ] [ -0.172515 -0.0927436 0.137643 ] [ -0.0180203 0.183275 -0.3434986 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.066376715272064e-11 6.998115218459903e-11 -7.566647592350783e-11 ] [ 4.354988425359936e-11 -1.297530747237984e-10 2.261396997958023e-10 ] [ 3.335589130786349e-10 5.983777199831424e-11 8.953683936509759e-11 ] [ -1.440223801439674e-10 -1.979220049326105e-10 -1.356745592966131e-10 ] [ 6.152101875612672e-11 5.280870272754048e-11 2.254815256399776e-10 ] [ -2.76399499737312e-10 -1.485916276488269e-10 2.205283966167744e-10 ] [ -2.887170335980224e-11 2.9363892017712e-10 -5.503454261975309e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.461658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.477230696640529e-18 } }