{ "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" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3652936999999998 2.7467301999999996 -1.1169499999999999 ] [ 0.5477001999999999 -1.1709417999999998 -0.5431233999999999 ] [ -0.44838709999999987 2.0130297999999995 0.6843108999999999 ] [ -0.5174958999999999 -1.6263005999999995 0.32838029999999996 ] [ -0.6829200999999999 0.4171635999999999 -0.19587649999999995 ] [ 1.3326962999999998 -1.6099600999999994 0.3383360999999999 ] [ -2.3394146999999994 0.4036690999999999 -1.3359514999999997 ] [ 0.7425276999999999 -1.1733901999999998 1.8408740999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.187441646665528e-09 4.400746910085308e-09 -1.78955117660256e-09 ] [ 8.775124556474839e-10 -1.876055576277469e-09 -8.701796136894067e-10 ] [ -7.183953286883115e-10 3.225229282533699e-09 1.096386925338607e-09 ] [ -8.291198323398546e-10 -2.605620799713012e-09 5.261232393912902e-10 ] [ -1.094158618094398e-09 6.683697669687628e-10 -3.138287488641311e-10 ] [ 2.135214854486663e-09 -2.579440432640829e-09 5.420741893926507e-10 ] [ -3.748155538695845e-09 6.467491945593771e-10 -2.140430259822691e-09 ] [ 1.189660521236396e-09 -1.879978345515836e-09 2.949405444856241e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.004066 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.928704941974018e-18 } }