{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.3431394 -5.104925 -2.1113557 ] [ 1.4616066 -2.1951237 8.6112112 ] [ 4.0657132 -6.1374721 4.574765 ] [ -10.0939396 0.1624094 -0.6487638 ] [ 1.9041824 9.4446185 -4.5051253 ] [ 0.7903029 -1.4166689 -1.0217909 ] [ 5.9593999 -0.872208 1.0699444 ] [ -0.744126 6.1193698 -5.9688848 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.35629978675534e-09 -8.178991485937439e-09 -3.382764740732818e-09 ] [ 2.341751923326977e-09 -3.516975871903993e-09 1.379668126141111e-08 ] [ 6.513990635917956e-09 -9.833314309432281e-09 7.329581528654113e-09 ] [ -1.61722740388873e-08 2.602085436781556e-10 -1.039434192781367e-09 ] [ 3.050836523018834e-09 1.513194695307517e-08 -7.218006429434587e-09 ] [ 1.26620482973044e-09 -2.269753790994453e-09 -1.637089491326191e-09 ] [ 9.548011193777859e-09 -1.397431266074726e-09 1.714239903235883e-09 ] [ -1.192221280129421e-09 9.804311227589573e-09 -9.563207678808482e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.834868 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.376807868225406e-18 } }