{ "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" [ [ 1.463646 2.399639 1.70499 ] [ 1.562869 2.634357 3.942252 ] [ 0.7671946 4.252199 0.5443388 ] [ 2.243771 4.169464 2.448835 ] [ 3.362616 2.323379 2.490002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.463646e-10 2.399639e-10 1.70499e-10 ] [ 1.562869e-10 2.634357e-10 3.942252e-10 ] [ 7.671945999999999e-11 4.252199e-10 5.443388e-11 ] [ 2.243771e-10 4.169464e-10 2.448835e-10 ] [ 3.362616e-10 2.323379e-10 2.490002e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.0652779 -13.0125447 -12.7705929 ] [ -3.3858398 -2.3316751 9.8114006 ] [ -0.0249949 1.1491957 -0.3351615 ] [ 2.9397085 20.2628685 1.2610152 ] [ 14.5364042 -6.0678444 2.0333386 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.253505941643492e-08 -2.084839489545495e-08 -2.046074537813447e-08 ] [ -5.424713369334148e-09 -3.735755332521503e-09 1.57195966586231e-08 ] [ -4.004624441923392e-11 1.84121448326389e-09 -5.369879194922592e-10 ] [ 4.709932230667037e-09 3.246469418104476e-08 2.020369071913436e-09 ] [ 2.328988695973893e-08 -9.721758436332203e-09 3.257767567090203e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 2.2986502 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.682843609837244e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8754517 2.3756258 1.0470776 ] [ 2.1461155 2.1185092 4.3940774 ] [ 0.6727194 4.4559362 0.3354254 ] [ 2.0345949 4.8687591 2.0236699 ] [ 3.6712152 1.9602078 3.3301675 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.754517000000001e-11 2.3756258e-10 1.0470776e-10 ] [ 2.1461155e-10 2.1185092e-10 4.3940774e-10 ] [ 6.727194e-11 4.4559362e-10 3.354254e-11 ] [ 2.0345949e-10 4.868759100000001e-10 2.0236699e-10 ] [ 3.6712152e-10 1.9602078e-10 3.3301675e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.86e-05 -7.29e-05 -8.6e-06 ] [ 4.35e-05 -4.5e-06 -3.03e-05 ] [ 5.17e-05 4.36e-05 5.81e-05 ] [ -3.31e-05 2.93e-05 -4.95e-05 ] [ -4.35e-05 4.5e-06 3.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.980048514688e-14 -1.1679867565632e-13 -1.377871893888e-14 ] [ 6.969468300480001e-14 -7.2097947936e-15 -4.854595161024e-14 ] [ 8.283253129536002e-14 6.985490066688e-14 9.308646166848001e-14 ] [ -5.303204614848e-14 4.694377498944e-14 -7.930774272959999e-14 ] [ -6.969468300480001e-14 7.2097947936e-15 4.854595161024e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.135307 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.065814150723059e-18 } }