{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.8850713 4.2690397 8.6997262 ] [ 6.2713606 -2.7255606 -1.2155284 ] [ 5.8675411 4.0865796 -1.1278678 ] [ 3.5812613 -2.9635756 -6.8591961 ] [ -9.1262276 3.8061365 -2.0786183 ] [ -2.813576 -6.5031852 4.7576857 ] [ -7.6654307 0.0305655 -2.1762012 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.224570407001063e-09 6.839755600607047e-09 1.393849792500123e-08 ] [ 1.004782733392626e-08 -4.366829471893621e-09 -1.94749118439843e-09 ] [ 9.400837172003115e-09 6.547422294158216e-09 -1.80704342051313e-09 ] [ 5.737813127835814e-09 -4.748171540293332e-09 -1.098964362890254e-08 ] [ -1.462182849681969e-08 6.098102915873539e-09 -3.330313643827041e-09 ] [ -4.50784568804398e-09 -1.041925128817257e-08 7.622652797654483e-09 ] [ -1.228137385590258e-08 4.897132950306241e-11 -3.486658684796905e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.124774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.467391509288371e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4848186 0.8660723 1.6256003 ] [ 2.9066725 2.402215 3.1565153 ] [ 2.6834708 0.2617916 3.7396021 ] [ 2.0574269 1.866906 5.1211477 ] [ 4.4713217 0.9089466 2.6150005 ] [ 3.9146221 2.5076312 1.1968031 ] [ 4.2140104 1.5397799 4.7148719 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4848186e-10 8.660723e-11 1.6256003e-10 ] [ 2.9066725e-10 2.402215e-10 3.1565153e-10 ] [ 2.6834708e-10 2.617916e-11 3.7396021e-10 ] [ 2.0574269e-10 1.866906e-10 5.121147700000001e-10 ] [ 4.4713217e-10 9.089466000000001e-11 2.6150005e-10 ] [ 3.9146221e-10 2.5076312e-10 1.1968031e-10 ] [ 4.2140104e-10 1.5397799e-10 4.714871900000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001531 -2.94e-05 -2.27e-05 ] [ -7.92e-05 0.0001158 0.0001447 ] [ 1.5e-06 -2.07e-05 -0.0001851 ] [ 1.75e-05 -4.45e-05 0.0001168 ] [ 0.0001569 -6.05e-05 0.0002117 ] [ 7.78e-05 -1.1e-05 -0.0002098 ] [ -2.14e-05 5.04e-05 -5.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.4529324064448e-13 -4.710399265152e-14 -3.636940929216e-14 ] [ -1.2689238836736e-13 1.8553205268864e-13 2.3183495702976e-13 ] [ 2.4032649312e-15 -3.316505605055999e-14 -2.9656289251008e-13 ] [ 2.8038090864e-14 -7.129685962560001e-14 1.8713422930944e-13 ] [ 2.5138151180352e-13 -9.69316855584e-14 3.3918079062336e-13 ] [ 1.2464934109824e-13 -1.76239428288e-14 -3.3613665504384e-13 ] [ -3.428657968511999e-14 8.074970168832e-14 -8.924123777856e-14 ] ] } "relaxed-potential-energy" { "source-value" -49.241665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.889384443226563e-18 } }