{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.164327 2.183765 1.328393 ] [ 2.70587 2.068279 5.162644 ] [ 0.8559813 1.907046 3.441903 ] [ 2.386273 0.2061938 3.516969 ] [ 3.489815 3.035472 2.979319 ] [ 4.556806 1.225964 3.894732 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.164327e-10 2.183765e-10 1.328393e-10 ] [ 2.70587e-10 2.068279e-10 5.162644000000001e-10 ] [ 8.559813e-11 1.907046e-10 3.441903e-10 ] [ 2.386273e-10 2.061938e-11 3.516969e-10 ] [ 3.489815e-10 3.035472e-10 2.979319e-10 ] [ 4.556806e-10 1.225964e-10 3.894732e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3377054 0.5929725 -1.5358056 ] [ -1.2902883 1.2812188 2.3011474 ] [ -5.7490688 -0.104352 -0.1459508 ] [ 0.8838328 -3.9148427 0.4894599 ] [ 4.2475793 4.3039774 -1.2046534 ] [ 3.2456504 -2.158974 0.0958025 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.143240317397912e-09 9.50046676277328e-10 -2.460631826413716e-09 ] [ -2.067269748351777e-09 2.052738807489431e-09 3.686844565294706e-09 ] [ -9.211023622730711e-09 -1.671903347337216e-10 -2.338389595470566e-10 ] [ 1.416056248856202e-09 -6.272269448049548e-09 7.84201208599106e-10 ] [ 6.805372249454029e-09 6.89573196673157e-09 -1.930067513647231e-09 ] [ 5.200105190170168e-09 -3.45905766771506e-09 1.53492525714192e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.030207 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.927451639878451e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8878758 2.8645362 1.5299757 ] [ 2.5511246 2.2901743 4.8569393 ] [ 0.8250454 1.4825958 3.1424329 ] [ 2.4276978 -0.2143691 4.0924712 ] [ 3.8469068 3.1837559 2.8336942 ] [ 4.620422 1.0200269 3.8684466 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8878758e-10 2.8645362e-10 1.5299757e-10 ] [ 2.5511246e-10 2.2901743e-10 4.856939299999999e-10 ] [ 8.250454000000001e-11 1.4825958e-10 3.1424329e-10 ] [ 2.4276978e-10 -2.143691e-11 4.092471200000001e-10 ] [ 3.8469068e-10 3.1837559e-10 2.8336942e-10 ] [ 4.620422e-10 1.0200269e-10 3.8684466e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.3e-06 -1.3e-06 2.1e-06 ] [ -1e-06 -4.2e-06 -3e-07 ] [ 2.4e-06 3.8e-06 -9e-07 ] [ 1.4e-06 -2e-07 2.1e-06 ] [ -7e-07 -5e-07 -1.7e-06 ] [ -3.4e-06 2.4e-06 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.08282960704e-15 -2.08282960704e-15 3.36457090368e-15 ] [ -1.6021766208e-15 -6.72914180736e-15 -4.8065298624e-16 ] [ 3.84522388992e-15 6.08827115904e-15 -1.44195895872e-15 ] [ 2.24304726912e-15 -3.2043532416e-16 3.36457090368e-15 ] [ -1.12152363456e-15 -8.010883104e-16 -2.72370025536e-15 ] [ -5.44740051072e-15 3.84522388992e-15 -1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.047461 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.250651359579979e-18 } }