{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.3347932 -21.4846387 -15.7630603 ] [ -8.8013911 -2.8319249 12.3948165 ] [ 1.0904906 17.8429323 9.7685881 ] [ 13.6778515 3.1031375 -0.186468 ] [ -0.7526634 20.3159966 -1.6560841 ] [ -6.2999596 -7.3339319 4.7820574 ] [ 6.4204653 -9.6115709 -9.3398497 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.547280941842818e-09 -3.442218583147491e-08 -2.525520668492063e-08 ] [ -1.410138305093719e-08 -4.537243866641379e-09 1.985868521540608e-08 ] [ 1.747158544522165e-09 2.858752897757717e-08 1.565100347204509e-08 ] [ 2.191433389607421e-08 4.971774353627759e-09 -2.987546701273344e-10 ] [ -1.205899702811839e-09 3.254981478077229e-08 -2.653339227098609e-09 ] [ -1.009364798310452e-08 -1.175025422871932e-08 7.661700565603635e-09 ] [ 1.028671939831766e-08 -1.539943418514162e-08 -1.49640888311259e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.119864 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.102033936887557e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.545476 1.4983918 1.3185726 ] [ 1.8915897 1.9014746 3.6914626 ] [ 2.9541529 3.8081381 2.4130621 ] [ 4.8611627 2.2330041 1.8829997 ] [ 4.2078814 2.7187703 4.2720399 ] [ 3.3756729 0.3110087 4.8402117 ] [ 5.4677483 0.5445769 3.5661614 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.545476e-10 1.4983918e-10 1.3185726e-10 ] [ 1.8915897e-10 1.9014746e-10 3.6914626e-10 ] [ 2.9541529e-10 3.8081381e-10 2.4130621e-10 ] [ 4.861162700000001e-10 2.2330041e-10 1.8829997e-10 ] [ 4.2078814e-10 2.7187703e-10 4.2720399e-10 ] [ 3.3756729e-10 3.110087000000001e-11 4.8402117e-10 ] [ 5.467748300000001e-10 5.445769e-11 3.5661614e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.13e-05 -0.0001236 -0.0001001 ] [ -4.33e-05 -1.75e-05 4.03e-05 ] [ -4.5e-05 0.0001838 2.14e-05 ] [ 0.0001435 -8.09e-05 6.89e-05 ] [ 1.56e-05 -3.94e-05 3.18e-05 ] [ 7.02e-05 4.01e-05 -3.6e-05 ] [ -5.97e-05 3.75e-05 -2.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.3025695927104e-13 -1.9802903033088e-13 -1.6037787974208e-13 ] [ -6.937424768064e-14 -2.8038090864e-14 6.456771781824e-14 ] [ -7.209794793600001e-14 2.9448006290304e-13 3.428657968511999e-14 ] [ 2.299123450848e-13 -1.2961608862272e-13 1.1038996917312e-13 ] [ 2.499395528448e-14 -6.312575885952001e-14 5.094921654144e-14 ] [ 1.1247279878016e-13 6.424728249408e-14 -5.76783583488e-14 ] [ -9.564994426176e-14 6.008162327999999e-14 -4.213724512704e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.928743 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.154242584133166e-18 } }