{ "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" [ [ 3.6963449 1.3796495 -0.28955929999999996 ] [ -0.6912059 -1.1619763 0.6296677999999999 ] [ 0.7751129 0.6200036 1.7213144999999999 ] [ -2.2606448 -3.6125446 2.1516573999999995 ] [ 1.4805905 3.323653 -1.1317491999999998 ] [ -1.6258357 0.6166517 -1.6074562999999997 ] [ -0.556759 -0.6729209 -3.0532905999999995 ] [ -0.817603 -0.4925159 1.5794157999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.922197381193314e-09 2.21044217379841e-09 -4.639251407952134e-10 ] [ -1.107433933139023e-09 -1.861691261783687e-09 1.00883902803057e-09 ] [ 1.241867766860488e-09 9.933552727318349e-10 2.757849848944041e-09 ] [ -3.621952246493092e-09 -5.787934499717288e-09 3.447335182251313e-09 ] [ 2.372167484078582e-09 5.325079132251783e-09 -1.813262108849103e-09 ] [ -2.604875947802003e-09 9.879849369165753e-10 -2.575428902817671e-09 ] [ -8.920262532199872e-10 -1.078138133627695e-09 -4.891910815828404e-09 ] [ -1.309944411695942e-09 -7.890974603522707e-10 2.530503069282129e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.325359 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.819964093196687e-18 } }