{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0515247 -0.182601 -0.0221147 ] [ -5.1783438 1.6954824 -5.5775464 ] [ -21.247944 6.7803585 4.5191224 ] [ -7.5246767 -15.1732501 -18.6406995 ] [ 12.1431447 -18.1471424 19.331475 ] [ 8.282564 9.3020431 -1.8950749 ] [ 15.5767806 15.7251095 2.2848381 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.286904938413859e-09 -2.92559055545034e-10 -3.54316556079198e-11 ] [ -8.29662143917877e-09 2.716462284638241e-09 -8.936214517130816e-09 ] [ -3.404295939734049e-08 1.086333195884329e-08 7.240432315466001e-09 ] [ -1.205586118714422e-08 -2.431022677205816e-08 -2.986569318031548e-08 ] [ 1.945546270162094e-08 -2.907492752715068e-08 3.097243754575515e-08 ] [ 1.327013051040958e-08 1.490351610328092e-08 -3.036244724459886e-09 ] [ 2.49567539102645e-08 2.519440300799142e-08 3.660714216292955e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.741267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.361811354295528e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.97102 1.5465886 2.5802013 ] [ 1.9297632 3.7246145 1.3153439 ] [ 2.1272454 3.5028933 3.9727173 ] [ 3.4584557 1.4204302 1.7372866 ] [ 4.1322337 1.7487753 4.2052734 ] [ 4.5454429 3.7415496 1.1593577 ] [ 4.6520772 4.2605906 3.6647718 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.7102e-11 1.5465886e-10 2.5802013e-10 ] [ 1.9297632e-10 3.7246145e-10 1.3153439e-10 ] [ 2.1272454e-10 3.502893300000001e-10 3.9727173e-10 ] [ 3.4584557e-10 1.4204302e-10 1.7372866e-10 ] [ 4.1322337e-10 1.7487753e-10 4.2052734e-10 ] [ 4.5454429e-10 3.7415496e-10 1.1593577e-10 ] [ 4.6520772e-10 4.2605906e-10 3.6647718e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.26e-05 -1.69e-05 1.69e-05 ] [ -9.8e-06 -2.4e-06 -3.76e-05 ] [ 5.92e-05 -2.44e-05 -3.35e-05 ] [ 5.6e-06 1.98e-05 9.6e-06 ] [ -5.54e-05 5.7e-05 -2.79e-05 ] [ -5.6e-05 -1.26e-05 3.1e-06 ] [ 4.39e-05 -2.05e-05 6.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.01874255884e-14 -2.70767851146e-14 2.70767851146e-14 ] [ -1.57013310132e-14 -3.845223921599999e-15 -6.024184143839999e-14 ] [ 9.48488567328e-14 -3.909310986959999e-14 -5.367291723899999e-14 ] [ 8.972189150399999e-15 3.17230973532e-14 1.53808956864e-14 ] [ -8.876058552359998e-14 9.132406813799999e-14 -4.470072808859999e-14 ] [ -8.972189150399998e-14 -2.01874255884e-14 4.9667475654e-15 ] [ 7.03355542326e-14 -3.2844620997e-14 1.110308407362e-13 ] ] } "relaxed-potential-energy" { "source-value" -24.607675 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.942584190206595e-18 } }