{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46441e-10 0.0 0.0 ] "source-value" [ 5.46441 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.39301e-11 5.60761e-10 0.0 ] "source-value" [ 0.239301 5.60761 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.67861e-11 -7.33416e-11 5.71653e-10 ] "source-value" [ 0.167861 -0.733416 5.71653 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.730373781469897e-09 -2.196070969945158e-09 -1.311194590113153e-09 ] [ 4.782772467031454e-09 -1.918351757325293e-09 5.969341588478016e-10 ] [ -2.898356092276002e-09 6.874769728695671e-09 5.124470597561415e-10 ] [ -1.033819364813773e-09 -1.332747070016154e-09 -5.301236020434023e-09 ] [ -1.855672685307652e-09 7.225192832449522e-09 8.10758679982526e-09 ] [ -9.384798422722934e-09 -1.458028950444286e-09 5.143253554957701e-09 ] [ 8.1674865760588e-09 -2.536514916616356e-09 -6.456301222550471e-09 ] [ 5.952761463717668e-09 -4.658248896797947e-09 -1.291489580071596e-09 ] ] "source-value" [ [ -2.3283162 -1.3706797 -0.8183833 ] [ 2.9851718 -1.197341 0.372577 ] [ -1.8090116 4.2908938 0.3198443 ] [ -0.6452593 -0.8318353000000002 -3.3087713 ] [ -1.1582198 4.5096107 5.0603577 ] [ -5.8575305 -0.9100300999999998 3.2101664 ] [ 5.0977442 -1.5831681 -4.0297063 ] [ 3.7154215 -2.9074503 -0.8060844 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.583680552730335e-18 "source-value" -28.609084 } }