{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.5541579 2.0893496 4.3563835 ] [ 0.2516944 0.0571878 -0.9530904 ] [ 0.6794508 -0.3990833 0.3761126 ] [ 4.8561511 -4.6971723 -3.8840615 ] [ -4.1733533 2.9551194 4.6367439 ] [ -0.4281259 1.0793274 0.7604542 ] [ -0.6720298 0.6185215 -1.0002405 ] [ 4.0403706 -1.7032503 -4.2923019 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.296565374926508e-09 3.347507109377246e-09 6.979695852443138e-09 ] [ 4.032588865886495e-10 9.162495690986518e-11 -1.527019168969713e-09 ] [ 1.088600195712607e-09 -6.394019382796121e-10 6.025988194729883e-10 ] [ 7.780411823593396e-09 -7.525699704932037e-09 -6.22295258031899e-09 ] [ -6.686449142686791e-09 4.734623253360099e-09 7.428882734422032e-09 ] [ -6.859333133902205e-10 1.729273140715971e-09 1.218381950467163e-09 ] [ -1.076710442911693e-09 9.909806949266309e-10 -1.602561957480477e-09 ] [ 6.473387368020559e-09 -2.72890783251349e-09 -6.877025810253804e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.578503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.540086954529889e-18 } }