{ "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" [ 5.46441 0 0 ] "si-unit" "m" "si-value" [ 5.46441e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.239301 5.60761 0 ] "si-unit" "m" "si-value" [ 2.39301e-11 5.60761e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.167861 -0.733416 5.71653 ] "si-unit" "m" "si-value" [ 1.67861e-11 -7.33416e-11 5.71653e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00327702 -0.0382766 0.433443 ] [ 1.09616 1.45225 1.46895 ] [ 0.130178 2.57242 2.88603 ] [ 1.56489 3.87283 4.50025 ] [ 2.74098 -0.214768 2.33093 ] [ 4.21449 1.24218 3.87733 ] [ 2.20243 2.94328 0.228142 ] [ 4.00805 4.02926 1.38377 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.27702e-13 -3.82766e-12 4.33443e-11 ] [ 1.09616e-10 1.45225e-10 1.46895e-10 ] [ 1.30178e-11 2.57242e-10 2.88603e-10 ] [ 1.56489e-10 3.87283e-10 4.500250000000001e-10 ] [ 2.74098e-10 -2.14768e-11 2.33093e-10 ] [ 4.21449e-10 1.24218e-10 3.87733e-10 ] [ 2.20243e-10 2.94328e-10 2.28142e-11 ] [ 4.00805e-10 4.02926e-10 1.38377e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6269177 -0.8977343 -0.4450474 ] [ 2.9129738 -0.9480573 0.5493986 ] [ -1.5970265 4.4335171 0.0930345 ] [ -1.5236581 -1.3937962 -3.0347722 ] [ -0.5567059 4.7386784 3.4095847 ] [ -2.7143065 -2.3821523 0.077474 ] [ 2.2545919 -0.7174578 -0.3826504 ] [ 3.8510491 -2.8329975 -0.2670218 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.208786123705708e-09 -1.438328907150253e-09 -7.130445394278259e-10 ] [ 4.667098519362935e-09 -1.518955241238772e-09 8.802335924202508e-10 ] [ -2.558718521098051e-09 7.103277445537016e-09 1.490577008278176e-10 ] [ -2.441169385912548e-09 -2.233107685799881e-09 -4.862241068293782e-09 ] [ -8.919411776414227e-10 7.59219974596995e-09 5.462756892977381e-09 ] [ -4.348798415985475e-09 -3.816628722244948e-09 1.241270315198592e-10 ] [ 3.612254431625052e-09 -1.149494113570602e-09 -6.130735248197683e-10 ] [ 6.170060833572882e-09 -4.538962361284848e-09 -4.278160852039334e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -28.525861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.570346758239051e-18 } }