{ "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" [ 5.11534 0 0 ] "si-unit" "m" "si-value" [ 5.11534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.215947 5.44617 0 ] "si-unit" "m" "si-value" [ -2.15947e-11 5.446170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.311017 -0.240161 5.43903 ] "si-unit" "m" "si-value" [ 3.11017e-11 -2.40161e-11 5.43903e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.11262 0.0410701 -0.0158461 ] [ 1.41877 1.4243 1.25044 ] [ 0.19719 2.45185 3.01922 ] [ 1.59796 4.1675 4.07229 ] [ 3.2205 -0.170535 2.05026 ] [ 3.94627 1.40202 3.6633 ] [ 2.60901 3.00439 -0.668036 ] [ 3.72698 4.31381 0.563179 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1262e-11 4.10701e-12 -1.58461e-12 ] [ 1.41877e-10 1.4243e-10 1.25044e-10 ] [ 1.9719e-11 2.45185e-10 3.01922e-10 ] [ 1.59796e-10 4.1675e-10 4.07229e-10 ] [ 3.2205e-10 -1.70535e-11 2.05026e-10 ] [ 3.94627e-10 1.40202e-10 3.6633e-10 ] [ 2.60901e-10 3.00439e-10 -6.68036e-11 ] [ 3.726980000000001e-10 4.31381e-10 5.63179e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6546558000000001 1.0120706000000002 -0.24748700000000007 ] [ 0.19331680000000007 0.48853000000000013 0.12644670000000002 ] [ 0.8469133000000002 0.8296358000000003 -0.7771652000000002 ] [ -0.2621972000000001 0.6042406000000001 -0.7976055000000002 ] [ -0.4925586000000001 0.10395440000000003 0.7795370000000003 ] [ -0.4924152000000001 -1.1389428000000001 0.03914460000000001 ] [ -0.4656642000000001 -0.6154662000000001 0.4625010000000001 ] [ 0.017949400000000004 -1.2840225000000003 0.4146284000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.048874217431121e-09 1.621515853919029e-09 -3.965178853519298e-10 ] [ 3.097276573678696e-10 7.827113445594241e-10 2.025899465173114e-10 ] [ 1.356904689104577e-09 1.329223082538705e-09 -1.245155913939357e-09 ] [ -4.200862238792219e-10 9.681001626581646e-10 -1.277904884721495e-09 ] [ -7.891658732939792e-10 1.665533093092916e-10 1.24895595644857e-09 ] [ -7.889361211665564e-10 -1.82478752658849e-09 6.271656295056769e-11 ] [ -7.460762943835355e-10 -9.86085556532617e-10 7.41008289296621e-10 ] [ 2.875810903738753e-11 -2.057230830081168e-09 6.643079287997109e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 34.353411 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.504023194893356e-18 } }