{ "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" [ 5.40836 0 0 ] "si-unit" "m" "si-value" [ 5.40836e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0676972 5.56169 0 ] "si-unit" "m" "si-value" [ 6.76972e-12 5.561689999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0290382 0.0456166 5.46301 ] "si-unit" "m" "si-value" [ 2.90382e-12 4.56166e-12 5.46301e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.160852 -0.0174641 0.0414383 ] [ 1.3693 1.3835 1.35672 ] [ 0.168786 2.76991 2.61562 ] [ 1.32577 4.00891 4.07743 ] [ 2.71647 0.0672876 2.67609 ] [ 4.01486 1.47906 4.19059 ] [ 2.74225 2.69331 -0.0428987 ] [ 4.04746 4.06755 1.1226 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.60852e-11 -1.74641e-12 4.14383e-12 ] [ 1.3693e-10 1.3835e-10 1.35672e-10 ] [ 1.68786e-11 2.76991e-10 2.61562e-10 ] [ 1.32577e-10 4.008910000000001e-10 4.07743e-10 ] [ 2.71647e-10 6.728760000000001e-12 2.67609e-10 ] [ 4.01486e-10 1.47906e-10 4.19059e-10 ] [ 2.74225e-10 2.69331e-10 -4.28987e-12 ] [ 4.04746e-10 4.06755e-10 1.1226e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2352819 -0.3638747 -1.2040386 ] [ 1.305437 -0.1313643 -0.3497131 ] [ -2.9922146 -0.1639135 0.4235281 ] [ 2.0240442 1.9365569 -0.136795 ] [ 0.0085969 -1.4370079 0.5907612 ] [ 2.2970889 -1.6042548 -2.0007927 ] [ -1.7479494 0.3710714 0.2857491 ] [ 1.3402789 1.3927869 2.3913012 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.581316401077403e-09 -5.829915372406137e-10 -1.929082495460763e-09 ] [ 2.09154064132729e-09 -2.104688102677574e-10 -5.603021528074925e-10 ] [ -4.794056276536423e-09 -2.626183775335008e-10 6.785668200718445e-10 ] [ 3.24287629670584e-09 3.102706190028924e-09 -2.19169750842336e-10 ] [ 1.377375219135552e-11 -2.302340461284904e-09 9.46503783115753e-10 ] [ 3.680342131479189e-09 -2.57029953436618e-09 -3.205623287007308e-09 ] [ -2.800523663021388e-09 5.945219217275251e-10 4.578205274346413e-10 ] [ 2.147363518931541e-09 2.231490608936507e-09 3.831286875930985e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.141821 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.188381443133848e-18 } }