{ "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" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3449834000000003 2.7514195000000004 -2.4633898000000003 ] [ 0.3752203000000001 0.35025110000000004 0.5779464000000001 ] [ 3.466628500000001 3.730475400000001 -5.096686200000001 ] [ 0.9640705000000003 -0.11256860000000003 0.7795736000000002 ] [ -1.1915247000000002 -1.3549378000000003 -2.0733286000000004 ] [ -2.4350289000000003 -3.136887000000001 5.7235532000000005 ] [ -2.2417016000000003 -1.6922486000000005 -2.2170109000000005 ] [ -0.28264760000000005 -0.5355040000000001 4.769342400000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.154900958844095e-09 4.408259996913226e-09 -3.946785545477188e-09 ] [ 6.011691923095624e-10 5.61164123829483e-10 9.259722101555252e-10 ] [ 5.554151135698974e-09 5.97688047034953e-09 -8.165791473193994e-09 ] [ 1.544611215902967e-09 -1.803547791561869e-10 1.249014596112891e-09 ] [ -1.909033017445734e-09 -2.170849665798187e-09 -3.321838610155995e-09 ] [ -3.901346374552342e-09 -5.025847013491451e-09 9.170143124945029e-09 ] [ -3.591601894329954e-09 -2.711281143501532e-09 -3.552043032038767e-09 ] [ -4.528513766452302e-10 -8.579719891448833e-10 7.641328889870164e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -63.839805 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.022826430474309e-17 } }