{ "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" [ [ 0.9507136 0.2448353 0.5524161 ] [ -0.3746513 0.1840325 -0.5620328 ] [ -0.6998472 -0.4827924 -1.6646973 ] [ -0.2833334 2.1286136 -1.7741095 ] [ -0.5316478 -1.0118004 -0.3334841 ] [ 0.2616311 0.2366875 0.7442613 ] [ -0.0198839 -2.0115254 1.1613539 ] [ 0.6970189 0.7119493 1.8762926 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.523211102996603e-09 3.922693936065543e-10 8.850681603735147e-10 ] [ -6.002575538123271e-10 2.94852568967376e-10 -9.004758122827623e-10 ] [ -1.121278821972342e-09 -7.735186959799219e-10 -2.667139094768884e-09 ] [ -4.539501493717747e-10 3.410414944636923e-09 -2.842436763639178e-09 ] [ -8.517936756597543e-10 -1.621082945796088e-09 -5.343004284285293e-10 ] [ 4.191792316941869e-10 3.792151789356e-10 1.192438054626215e-09 ] [ -3.185751971032512e-11 -3.222818968025368e-09 1.860694067054901e-09 ] [ 1.116747385835733e-09 1.140668523654926e-09 3.006152137500046e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.280255 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.812737635766231e-18 } }