{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1152533 -1.3131814 6.1402881 ] [ -2.9264364 4.2104534 -5.8546079 ] [ -2.1058637 -0.7161453 -1.479062 ] [ 3.0530995 -0.3734033 1.297651 ] [ 5.1538377 -4.3299085 2.4994146 ] [ -2.8311499 3.808897 -2.4675286 ] [ -6.284655 -6.8596696 -5.2132453 ] [ 4.8259145 5.5729577 5.0770901 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.786832778251392e-09 -2.103948555283407e-09 9.837826119848256e-09 ] [ -4.688668020967078e-09 6.745890056025854e-09 -9.380115978611807e-09 ] [ -3.373965614528785e-09 -1.14739126620892e-09 -2.369718576637308e-09 ] [ 4.891604680177082e-09 -5.98258042318492e-10 2.079066111286734e-09 ] [ 8.257358338368302e-09 -6.937278226057988e-09 4.004503670798456e-09 ] [ -4.536002217131436e-09 6.102525774712698e-09 -3.953416666646732e-09 ] [ -1.006912739375127e-08 -1.099040235008013e-08 -8.35253980697032e-09 ] [ 7.731967449581792e-09 8.92886260921038e-09 8.134395126932723e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.016812 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.61031179835708e-18 } }