{ "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" [ [ 1.593193 1.569284 2.84459 ] [ 1.603337 4.216737 3.188357 ] [ 3.675145 1.205287 1.773064 ] [ 3.545696 2.526378 4.008338 ] [ 3.206595 3.44318 2.117333 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.593193e-10 1.569284e-10 2.84459e-10 ] [ 1.603337e-10 4.216737e-10 3.188357e-10 ] [ 3.675145e-10 1.205287e-10 1.773064e-10 ] [ 3.545696e-10 2.526378e-10 4.008338e-10 ] [ 3.206595e-10 3.44318e-10 2.117333e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2123214 -0.0232013 0.4766981 ] [ -4.0997094 1.4848268 2.4813186 ] [ 0.0846382 -0.9716503 -0.4445792 ] [ 0.4575988 -1.7223043 3.6758695 ] [ 3.7697938 1.2323291 -6.189307 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.401763831755251e-10 -3.717258043216704e-11 7.637545509997805e-10 ] [ -6.568458552753996e-09 2.378954784897277e-09 3.975510649676187e-09 ] [ 1.356053452665946e-10 -1.556755394253306e-09 -7.122944003339674e-10 ] [ 7.331540990661351e-10 -2.759435683363309e-09 5.889392174011786e-09 ] [ 6.03987549159679e-09 1.974408873151505e-09 -9.916362974353787e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.039888 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.768785044985047e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6738258 1.4359054 3.1889917 ] [ 1.5769153 3.8318906 2.9980386 ] [ 3.2308185 1.3627844 1.415466 ] [ 3.3761201 2.7568527 4.2937175 ] [ 3.7662863 3.5734329 2.0354681 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6738258e-10 1.4359054e-10 3.1889917e-10 ] [ 1.5769153e-10 3.8318906e-10 2.9980386e-10 ] [ 3.2308185e-10 1.3627844e-10 1.415466e-10 ] [ 3.3761201e-10 2.7568527e-10 4.2937175e-10 ] [ 3.7662863e-10 3.5734329e-10 2.0354681e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.2478023 0.070906 -0.0443626 ] [ 0.0963422 -0.0613613 0.055788 ] [ -0.1290963 -0.0579528 -0.272023 ] [ -0.1607857 0.269396 0.0533577 ] [ -0.0542624 -0.220988 0.2072399 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.970230516404678e-10 1.136039354744448e-10 -7.107672055790208e-11 ] [ 1.543572204364378e-10 -9.831164028189505e-11 8.93822293211904e-11 ] [ -2.06835073691783e-10 -9.285062126989824e-11 -4.358288909198784e-10 ] [ -2.576070894989626e-10 4.316199729370368e-10 8.548845947966017e-11 ] [ -8.693794866849793e-11 -3.540618070773504e-10 3.320349226769299e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.086403 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.256890555776698e-18 } }