{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.91343 2.805447 1.311156 ] [ 2.653002 2.505168 3.277079 ] [ 1.829519 4.618852 2.376516 ] [ 4.982305 1.900488 2.423676 ] [ 4.143762 3.996307 2.985709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.91343e-10 2.805447e-10 1.311156e-10 ] [ 2.653002e-10 2.505168e-10 3.277079e-10 ] [ 1.829519e-10 4.618852000000001e-10 2.376516e-10 ] [ 4.982305e-10 1.900488e-10 2.423676e-10 ] [ 4.143762e-10 3.996307e-10 2.985709e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5152561 -3.8455855 -14.7033042 ] [ -7.533134 -8.098316 10.7305283 ] [ -6.4775501 7.3769559 -0.7987712 ] [ 7.5926091 -5.077971 -0.6815623 ] [ 9.9333311 9.6449166 5.4531094 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.632061139544588e-09 -6.161307181387478e-09 -2.355729023775045e-08 ] [ -1.206941117615359e-08 -1.297493256305058e-08 1.719220157109277e-08 ] [ -1.03781793302807e-08 1.181918627565262e-08 -1.279772542008361e-09 ] [ 1.216470079089333e-08 -8.135806417300397e-09 -1.091983182678676e-09 ] [ 1.591495085508555e-08 1.545285988608583e-08 8.736844391344717e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 3.4454602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.520235780336893e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.0023656 2.8230195 0.6320133 ] [ 2.3755785 2.1612232 3.7914593 ] [ 2.0956804 4.2733683 2.4671471 ] [ 4.5131265 2.0571367 2.4825076 ] [ 4.535267 4.5115143 3.0010087 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0023656e-10 2.8230195e-10 6.320133e-11 ] [ 2.3755785e-10 2.1612232e-10 3.7914593e-10 ] [ 2.0956804e-10 4.2733683e-10 2.4671471e-10 ] [ 4.5131265e-10 2.0571367e-10 2.4825076e-10 ] [ 4.535267e-10 4.5115143e-10 3.0010087e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-06 2.4e-06 5.7e-06 ] [ -1.3e-06 -1e-07 5e-07 ] [ 2.1e-06 -8e-07 -1.5e-06 ] [ 6e-07 1e-06 -1.9e-06 ] [ -3e-06 -2.5e-06 -2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-15 3.84522388992e-15 9.13240673856e-15 ] [ -2.08282960704e-15 -1.6021766208e-16 8.010883104e-16 ] [ 3.36457090368e-15 -1.28174129664e-15 -2.4032649312e-15 ] [ 9.6130597248e-16 1.6021766208e-15 -3.04413557952e-15 ] [ -4.8065298624e-15 -4.005441552e-15 -4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -6.9990301 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.121368239449549e-18 } }