{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0311521 -1.4194213 0.9952281 ] [ -0.0909458 0.7327989 -1.1432171 ] [ 4.3107584 -0.5689742 -0.6214887 ] [ 3.38294 4.7381401 2.3566809 ] [ -5.3434131 -1.6665897 -4.0203318 ] [ -3.1099502 -1.6873362 3.1247916 ] [ 0.8194586 -0.1286176 -0.691663 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.991116630882368e-11 -2.274163621925543e-09 1.594531194183204e-09 ] [ -1.457112345199526e-10 1.174073265327957e-09 -1.831635710118776e-09 ] [ 6.906596326397215e-09 -9.115971610783834e-10 -9.95734665231385e-10 ] [ 5.420067377569152e-09 7.591337294294975e-09 3.775819040665903e-09 ] [ -8.561091544096453e-09 -2.670171053806086e-09 -6.441281617818782e-09 ] [ -4.982689502292285e-09 -2.703410611069513e-09 5.006468046392226e-09 ] [ 1.312917410633499e-09 -2.060681117434061e-10 -1.10816628807239e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.684841 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.993641541356529e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2503632 2.4019235 4.6878896 ] [ 2.5128906 3.3468561 2.5143552 ] [ 5.0499071 1.321437 2.6375369 ] [ 4.804288 3.5669866 3.1365555 ] [ 2.861022 1.2818818 1.5366275 ] [ 3.0991495 0.4315442 3.8224467 ] [ 4.1111075 3.5975977 5.3337666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2503632e-10 2.4019235e-10 4.6878896e-10 ] [ 2.5128906e-10 3.3468561e-10 2.5143552e-10 ] [ 5.049907100000001e-10 1.321437e-10 2.6375369e-10 ] [ 4.804288e-10 3.5669866e-10 3.1365555e-10 ] [ 2.861022e-10 1.2818818e-10 1.5366275e-10 ] [ 3.0991495e-10 4.315442e-11 3.8224467e-10 ] [ 4.1111075e-10 3.5975977e-10 5.3337666e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.85e-05 -2.22e-05 -2.23e-05 ] [ 4.73e-05 -6.7e-06 -3.02e-05 ] [ -1.34e-05 5.98e-05 2.21e-05 ] [ -2.57e-05 -5.22e-05 -6.7e-06 ] [ -3.04e-05 5.45e-05 9.3e-06 ] [ 3.67e-05 -3.5e-06 5.61e-05 ] [ 1.39e-05 -2.97e-05 -2.83e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.56620336928e-14 -3.556832098176e-14 -3.572853864384e-14 ] [ 7.578295416384e-14 -1.073458335936e-14 -4.838573394816e-14 ] [ -2.146916671872e-14 9.581016192383999e-14 3.540810331968e-14 ] [ -4.117593915456e-14 -8.363361960576001e-14 -1.073458335936e-14 ] [ -4.870616927232e-14 8.731862583360001e-14 1.490024257344e-14 ] [ 5.879988198335999e-14 -5.6076181728e-15 8.988210842688002e-14 ] [ 2.227025502912e-14 -4.758464563776e-14 -4.534159836864e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }