{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 9.6900427 -0.3059917 -1.0513662999999998 ] [ -0.7457764 -2.8413441 0.5319873999999999 ] [ 0.5987755 0.7989815 2.9489997999999997 ] [ -8.1453729 -6.7076917 7.994192699999999 ] [ 6.0250666 7.9290093 -4.7934209999999995 ] [ -4.2751608 2.9025182 -4.476657399999999 ] [ -1.2793565 -0.920479 -5.2741739999999995 ] [ -1.8682182 -0.8550025 4.120438799999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.552515999640227e-08 -4.902527519379376e-10 -1.684474519635034e-09 ] [ -1.194865522268637e-09 -4.552335126173759e-09 8.523377818624113e-10 ] [ 9.593441151116668e-10 1.280109490298271e-09 4.724818573230672e-09 ] [ -1.305032613559682e-08 -1.074690690981574e-08 1.280810875163337e-08 ] [ 9.653220924813823e-09 1.270367343122869e-08 -7.679907123124913e-09 ] [ -6.849562740352747e-09 4.650346839799738e-09 -7.172395884703189e-09 ] [ -2.049755090856021e-09 -1.474769945887686e-09 -8.450158346450314e-09 ] [ -2.993215547253539e-09 -1.369865027511585e-09 6.601670767186997e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.014275 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.449687662745034e-18 } }