{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45158e-10 0.0 0.0 ] "source-value" [ 5.45158 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] "source-value" [ -0.0257054 5.42445 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] "source-value" [ -0.0529382 0.0294769 5.34001 ] } "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" [ [ 8.06800070053152e-11 -3.329593785871316e-10 4.1245125947576e-09 ] [ -3.315835895228506e-10 2.267585405155862e-09 -3.596353629751922e-09 ] [ -1.150368261134911e-09 -1.178774211751046e-10 -1.055583011595396e-09 ] [ 1.712053733236802e-09 -2.397130196918957e-10 1.203478653720148e-09 ] [ 2.465399423384231e-09 -1.918931264609036e-09 1.968315635244941e-10 ] [ -1.040407835513827e-09 2.291561497633148e-09 -1.07850134706763e-09 ] [ -3.020743320203334e-09 -3.868490698807257e-09 -1.579209418940832e-09 ] [ 1.284969682530912e-09 1.918824719863753e-09 1.784824595353538e-09 ] ] "source-value" [ [ 0.0503565 -0.2078169 2.5743183 ] [ -0.2069582 1.4153155 -2.2446674 ] [ -0.7180034 -0.0735733 -0.6588431 ] [ 1.0685799 -0.1496171 0.7511523 ] [ 1.5387813 -1.1977027 0.1228526 ] [ -0.6493715 1.4302802 -0.6731476 ] [ -1.8853997 -2.414522 -0.985665 ] [ 0.802015 1.1976362 1.1139999 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.832045306005829e-18 "source-value" -36.400764 } }