{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.21666149999999998 -0.6699875999999999 1.2724734999999998 ] [ 0.6784302999999999 -1.4175056999999998 -2.5481484999999995 ] [ -0.26372409999999996 0.5875205999999998 2.5086671999999997 ] [ -0.8128832999999999 0.3492278999999999 -0.47967899999999997 ] [ -0.7987884999999999 -2.4062832999999997 -2.1117653999999995 ] [ 2.1223271999999995 2.5263473999999997 1.5854818999999998 ] [ 0.07095989999999999 -1.0868377999999999 0.5720172999999998 ] [ -0.7796598999999999 2.1175185999999995 -0.7990468999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.471299899274592e-10 -1.073438468945902e-09 2.038727292287548e-09 ] [ 1.08696516550233e-09 -2.271094492390738e-09 -4.082583953026588e-09 ] [ -4.225325873615212e-10 9.413117695583883e-10 4.019327937207797e-09 ] [ -1.302382618698753e-09 5.595247767110802e-10 -7.685304792887232e-10 ] [ -1.279800259663901e-09 -3.855290846281472e-09 -3.38342115249436e-09 ] [ 3.400343021527925e-09 4.047654740298866e-09 2.540222032881563e-09 ] [ 1.136902927943059e-10 -1.741306113761706e-09 9.164727447531397e-10 ] [ -1.249152863955266e-09 3.392638795029146e-09 -1.280214262102715e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.999019 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.7676786613535e-18 } }