{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6958924 1.1174358 -2.0402462 ] [ -0.7390611 2.2080923 -0.9174819 ] [ 0.2652577 -0.1342461 -2.0890995 ] [ -0.3183552 -0.362912 3.0258931 ] [ 0.6689286 0.3177867 -0.1207269 ] [ -4.0867516 3.3679956 5.0256139 ] [ 3.1872941 -3.7562683 -4.1249618 ] [ -0.673205 -2.757884 1.2410093 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.717119177058181e-09 1.790329528755097e-09 -3.268834789247291e-09 ] [ -1.184106425518337e-09 3.537753888775318e-09 -1.469968062297924e-09 ] [ 4.249896889285818e-10 -2.150859646256274e-10 -3.347106405001083e-09 ] [ -5.100612627523968e-10 -5.814491265982079e-10 4.848015221801825e-09 ] [ 1.071741772734332e-09 5.091504253359678e-10 -1.934258182752546e-10 ] [ -6.547697922482115e-09 5.39612385373481e-09 8.051921162085612e-09 ] [ 5.106608132706059e-09 -6.018205301294901e-09 -6.608917412102581e-09 ] [ -1.07859332089197e-09 -4.418617304082455e-09 1.988316103036696e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.80833 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.737126962856121e-18 } }