{ "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" [ [ 2.082752 2.058358 1.918508 ] [ 1.804708 3.969119 3.022657 ] [ 3.997636 1.573064 0.3548062 ] [ 3.986466 2.315414 3.180743 ] [ 3.658552 3.790773 1.50531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.082752e-10 2.058358e-10 1.918508e-10 ] [ 1.804708e-10 3.969119e-10 3.022657e-10 ] [ 3.997636e-10 1.573064e-10 3.548062000000001e-11 ] [ 3.986466e-10 2.315414e-10 3.180743e-10 ] [ 3.658552e-10 3.790773e-10 1.50531e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1038161 -1.4177616 -1.0420489 ] [ 0.2464546 0.6863901 0.3738434 ] [ -0.5893721 0.875345 1.0996493 ] [ 0.26874 -0.3784208 0.4193307 ] [ 0.1779936 0.2344474 -0.8507745 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.663317282826349e-10 -2.271504489388002e-09 -1.669546385310357e-09 ] [ 3.948637982086157e-10 1.099718170968574e-09 5.989631553203827e-10 ] [ -9.442781995717996e-10 1.402457294134176e-09 1.761832399539085e-09 ] [ 4.30568945073792e-10 -6.062969585844325e-10 6.718418439236986e-10 ] [ 2.851771845720268e-10 3.756261430873459e-10 -1.363091013472809e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.352743 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.979127603735086e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8372394 1.5652513 2.0309438 ] [ 2.0299652 3.8290936 2.804554 ] [ 3.7956492 1.8617295 0.6754614 ] [ 3.8788876 2.3250806 3.0219952 ] [ 3.9883726 4.125573 1.4490698 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8372394e-10 1.5652513e-10 2.0309438e-10 ] [ 2.0299652e-10 3.8290936e-10 2.804554e-10 ] [ 3.7956492e-10 1.8617295e-10 6.754614e-11 ] [ 3.8788876e-10 2.3250806e-10 3.0219952e-10 ] [ 3.9883726e-10 4.125573e-10 1.4490698e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.4e-06 -3e-07 -6e-07 ] [ -1.6e-06 8e-07 1.1e-06 ] [ -1.4e-06 3e-07 -2.2e-06 ] [ -6e-07 2.5e-06 8e-07 ] [ 1.2e-06 -3.4e-06 9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.84522388992e-15 -4.8065298624e-16 -9.6130597248e-16 ] [ -2.56348259328e-15 1.28174129664e-15 1.76239428288e-15 ] [ -2.24304726912e-15 4.8065298624e-16 -3.52478856576e-15 ] [ -9.6130597248e-16 4.005441552e-15 1.28174129664e-15 ] [ 1.92261194496e-15 -5.44740051072e-15 1.44195895872e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }