{ "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" [ [ 2.024908 1.18877 2.927879 ] [ 1.938594 2.418534 4.826435 ] [ 2.412467 3.694527 2.059811 ] [ 3.090256 4.25078 4.272664 ] [ 3.913894 1.726388 1.808826 ] [ 4.03064 2.069757 3.989682 ] [ 4.599294 3.851686 2.39416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.024908e-10 1.18877e-10 2.927879e-10 ] [ 1.938594e-10 2.418534e-10 4.826435e-10 ] [ 2.412467e-10 3.694527e-10 2.059811e-10 ] [ 3.090256e-10 4.25078e-10 4.272664e-10 ] [ 3.913894e-10 1.726388e-10 1.808826e-10 ] [ 4.03064e-10 2.069757e-10 3.989682e-10 ] [ 4.599294e-10 3.851686e-10 2.39416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4646052 0.3428206 -0.3311673 ] [ -1.8656501 -0.3406378 0.9609399 ] [ -2.8043756 0.5341775 -1.4661707 ] [ 0.8191606 0.9121256 -1.2176293 ] [ 0.0706514 -0.0982767 -2.7383054 ] [ 3.3643746 -1.7353829 3.8671171 ] [ 0.8804443 0.3851737 0.9252156 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.443795893421082e-10 5.492591504486285e-10 -5.305885056334599e-10 ] [ -2.989100972813182e-09 -5.457619193207462e-10 1.53959544177389e-09 ] [ -4.493105022261973e-09 8.558467018573921e-10 -2.34906441764197e-09 ] [ 1.3124399620005e-09 1.461386311553172e-09 -1.950857197261069e-09 ] [ 1.131960213067891e-10 -1.574566311093753e-10 -4.387248892490392e-09 ] [ 5.390322327733353e-09 -2.780389910516104e-09 6.195804607515896e-09 ] [ 1.410627273376622e-09 6.17116297087033e-10 1.482358803519445e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.132761 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.667582857355403e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0099597 1.43609 2.9202501 ] [ 1.9476873 2.3684789 5.0459991 ] [ 2.3487171 3.5685258 1.9297555 ] [ 3.0065011 4.2154389 4.1188067 ] [ 3.9330936 1.7890068 1.6615833 ] [ 4.1070465 2.0147903 4.070766 ] [ 4.6570477 3.8081114 2.5322964 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0099597e-10 1.43609e-10 2.9202501e-10 ] [ 1.9476873e-10 2.3684789e-10 5.0459991e-10 ] [ 2.3487171e-10 3.5685258e-10 1.9297555e-10 ] [ 3.0065011e-10 4.2154389e-10 4.118806700000001e-10 ] [ 3.9330936e-10 1.7890068e-10 1.6615833e-10 ] [ 4.1070465e-10 2.0147903e-10 4.070766e-10 ] [ 4.6570477e-10 3.8081114e-10 2.5322964e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.3e-06 -2e-07 -7.8e-06 ] [ -7.2e-06 -3.7e-06 7.4e-06 ] [ -2.13e-05 8.8e-06 -6.5e-06 ] [ -2e-07 1.3e-06 -9.3e-06 ] [ 2.4e-06 4.3e-06 1.29e-05 ] [ 1.85e-05 -9e-06 5.4e-06 ] [ 1.31e-05 -1.5e-06 -2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.491536090240001e-15 -3.2043532416e-16 -1.249697764224e-14 ] [ -1.153567166976e-14 -5.928053496960001e-15 1.185610699392e-14 ] [ -3.412636202304e-14 1.409915426304e-14 -1.04141480352e-14 ] [ -3.2043532416e-16 2.08282960704e-15 -1.490024257344e-14 ] [ 3.84522388992e-15 6.889359469440001e-15 2.066807840832e-14 ] [ 2.96402674848e-14 -1.44195895872e-14 8.65175375232e-15 ] [ 2.098851373248e-14 -2.4032649312e-15 -3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -30.380528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.867497168915979e-18 } }