{ "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" [ 5.40103 0 0 ] "si-unit" "m" "si-value" [ 5.401030000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.134454 5.44836 0 ] "si-unit" "m" "si-value" [ -1.34454e-11 5.44836e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.122267 -0.177468 5.33534 ] "si-unit" "m" "si-value" [ -1.22267e-11 -1.77468e-11 5.335340000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.12652 -0.101854 -0.0428595 ] [ 1.30252 1.39257 1.42794 ] [ -0.134723 2.79807 2.80389 ] [ 1.19895 4.08424 4.16214 ] [ 2.70678 0.0224968 2.81634 ] [ 3.95472 1.30925 4.22707 ] [ 2.581 2.82078 0.250931 ] [ 3.97059 4.21723 1.58759 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.2652e-11 -1.01854e-11 -4.28595e-12 ] [ 1.30252e-10 1.39257e-10 1.42794e-10 ] [ -1.34723e-11 2.79807e-10 2.80389e-10 ] [ 1.19895e-10 4.084240000000001e-10 4.16214e-10 ] [ 2.70678e-10 2.24968e-12 2.81634e-10 ] [ 3.95472e-10 1.30925e-10 4.227070000000001e-10 ] [ 2.581e-10 2.82078e-10 2.50931e-11 ] [ 3.97059e-10 4.21723e-10 1.58759e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7646647000000002 2.0318129000000003 3.488344400000001 ] [ -1.8701673000000005 -1.6495917000000004 1.5489988000000003 ] [ 0.24878890000000006 -2.6385703000000005 0.13120810000000002 ] [ 2.3145645000000004 -0.9381115000000002 -0.6026418000000001 ] [ -2.6864739000000006 0.3987385000000001 0.09277340000000002 ] [ -0.28972020000000004 2.7079896000000003 -0.4608139000000001 ] [ 1.7320559000000004 1.2376234000000002 -2.0205973000000004 ] [ -0.21371270000000006 -1.1498910000000002 -2.1772717000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.22512791518462e-09 3.255323153039778e-09 5.58894388902475e-09 ] [ -2.996338349730869e-09 -2.642937277380338e-09 2.481769683454039e-09 ] [ 3.986037623785627e-10 -4.227455681826371e-09 2.102185520115354e-10 ] [ 3.708341159785893e-09 -1.503020325386691e-09 -9.655386106317013e-10 ] [ -4.304205710430853e-09 6.388495077762092e-10 1.486393737367356e-10 ] [ -4.641829348378068e-10 4.338677662235006e-09 -7.383052632024128e-10 ] [ 2.775059491761841e-09 1.982891293171636e-09 -3.237353780783489e-09 ] [ -3.424054943290519e-10 -1.842328491846894e-09 -3.488373843609458e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.808688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.737184320779618e-18 } }