{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.4017265 -4.2699216 -2.9849283 ] [ -1.6267051 4.2346142 -3.1102462 ] [ -1.5010214 0.6145758 5.2431403 ] [ 9.9547127 -8.5453486 -2.7545001 ] [ -10.0808164 8.4071412 2.638863 ] [ -1.1478964 -0.441061 0.9676713 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.052343289455811e-09 -6.84116856016893e-09 -4.782382337024288e-09 ] [ -2.606268880156126e-09 6.784599869347696e-09 -4.983163746572042e-09 ] [ -2.404901394400485e-09 9.846589784694567e-10 8.4004368082343e-09 ] [ 1.594920795472084e-08 -1.369115774350601e-08 -4.413195662211262e-09 ] [ -1.615124835465722e-08 1.346972507840446e-08 4.227924604094151e-09 ] [ -1.839132775180485e-09 -7.066576225466688e-10 1.550380333479143e-09 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8765259 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.41523240850568e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5806914 0.1078892 1.0438473 ] [ 1.8150729 2.0430502 1.7706762 ] [ 0.4891452 2.0043938 3.5326595 ] [ 3.9659634 5.3169185 2.2160323 ] [ 5.0685953 4.9808915 4.0905465 ] [ 2.6113477 3.9859566 1.1007325 ] [ 5.1249072 3.3551952 5.5773423 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5806914e-10 1.078892e-11 1.0438473e-10 ] [ 1.8150729e-10 2.0430502e-10 1.7706762e-10 ] [ 4.891452e-11 2.0043938e-10 3.5326595e-10 ] [ 3.9659634e-10 5.3169185e-10 2.2160323e-10 ] [ 5.0685953e-10 4.9808915e-10 4.0905465e-10 ] [ 2.6113477e-10 3.985956600000001e-10 1.1007325e-10 ] [ 5.124907200000001e-10 3.3551952e-10 5.5773423e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0103409 -0.0404947 -0.1285583 ] [ -0.2239859 -0.3747664 0.1219696 ] [ -0.0770114 0.0148421 -0.0351119 ] [ -0.0419708 0.0935526 -0.2629792 ] [ 0.028107 -0.4241375 0.4589651 ] [ 0.1663337 0.3013554 0.0187723 ] [ 0.1381864 0.4296485 -0.1730575 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.656794821803072e-11 -6.487966160630977e-11 -2.059731026697926e-10 ] [ -3.588649723688467e-10 -6.004419643413811e-10 1.954168415683277e-10 ] [ -1.233858646150771e-10 2.377966562357568e-11 -5.625546529186753e-11 ] [ -6.724463451627265e-11 1.498877885350541e-10 -4.213391259966874e-10 ] [ 4.50323782808256e-11 -6.795431865045601e-10 7.353431529831341e-10 ] [ 2.66495965391161e-10 4.828245764318324e-10 3.007654017864384e-11 ] [ 2.213990193925171e-10 6.883727818617888e-10 -2.77268680554096e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.352182 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.459690707866659e-18 } }