{ "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" [ [ 2.279778 0.7751999 2.437046 ] [ 2.78251 2.893695 2.394675 ] [ 4.420807 1.465039 1.355448 ] [ 4.595919 1.28038 3.495826 ] [ 3.524345 3.582501 0.1223867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.279778e-10 7.751999000000001e-11 2.437046e-10 ] [ 2.78251e-10 2.893695e-10 2.394675e-10 ] [ 4.420807e-10 1.465039e-10 1.355448e-10 ] [ 4.595919e-10 1.28038e-10 3.495826e-10 ] [ 3.524345e-10 3.582501e-10 1.223867e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3860352 -2.6493015 0.3631756 ] [ -1.4959997 4.200915 -0.2248392 ] [ 2.2142277 -0.1373977 -4.2205001 ] [ 1.5909349 -0.6345529 3.0270615 ] [ 0.0768723 -0.7796629 1.0551022 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.822849813845852e-09 -4.244648924750371e-09 5.818714555650125e-10 ] [ -2.396855744063814e-09 6.730607798968032e-09 -3.602321096793753e-10 ] [ 3.547583854067756e-09 -2.201353826916922e-10 -6.761986588304062e-09 ] [ 2.548958701994786e-09 -1.01666582104084e-09 4.849887165023779e-09 ] [ 1.231630018471238e-10 -1.249157670485128e-09 1.690460077394646e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.7829916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.086755056060279e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2133372 0.817557 1.9272481 ] [ 2.619706 2.9726131 2.7790915 ] [ 4.4216377 1.0261128 1.1430609 ] [ 4.693326 1.9789728 3.2769031 ] [ 3.6553521 3.2015592 0.6790781 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2133372e-10 8.17557e-11 1.9272481e-10 ] [ 2.619706e-10 2.9726131e-10 2.7790915e-10 ] [ 4.4216377e-10 1.0261128e-10 1.1430609e-10 ] [ 4.693326e-10 1.9789728e-10 3.2769031e-10 ] [ 3.6553521e-10 3.2015592e-10 6.790781e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.8e-06 1.4e-06 1.4e-06 ] [ -1.8e-06 -3e-06 7e-07 ] [ 5e-07 4.7e-06 5e-07 ] [ 1.7e-06 -7e-07 -2e-07 ] [ 2.4e-06 -2.3e-06 -2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.48609453824e-15 2.24304726912e-15 2.24304726912e-15 ] [ -2.88391791744e-15 -4.8065298624e-15 1.12152363456e-15 ] [ 8.010883104e-16 7.53023011776e-15 8.010883104e-16 ] [ 2.72370025536e-15 -1.12152363456e-15 -3.2043532416e-16 ] [ 3.84522388992e-15 -3.68500622784e-15 -4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }